lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(-c2cccc(C(=O)N(C)C3CCCCC3)c2)ccc1F
InChIKey: VKOGBADXHDPVPV-DEOSSOPVSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 1420 nM (pChEMBL 5.849999904632568)
Descriptors: MW 427.56, ALogP 4.4, HBA 4, HBD 2, PSA 65.46, QED 0.66
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(-c2ccc(OCC(F)(F)F)cc2)ccc1F
InChIKey: GJKJBSBWHHWUQP-SFHVURJKSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 460 nM (pChEMBL 6.340000152587891)
Descriptors: MW 386.39, ALogP 3.94, HBA 4, HBD 2, PSA 54.38, QED 0.68
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1F
InChIKey: GRSBBPJQUNYAER-NRFANRHFSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 760 nM (pChEMBL 6.119999885559082)
Descriptors: MW 437.54, ALogP 2.02, HBA 6, HBD 2, PSA 91.76, QED 0.66
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(-c2ccnc(N3CCOCC3)c2)ccc1F
InChIKey: LRVOTFSZTLNGNU-IBGZPJMESA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 2160 nM (pChEMBL 5.670000076293945)
Descriptors: MW 374.46, ALogP 2.23, HBA 6, HBD 2, PSA 70.51, QED 0.77
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(-c2cccc(C(=O)N(C(C)C)C(C)C)c2)ccc1F
InChIKey: JJGAZXRYIVFLTR-QHCPKHFHSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 1780 nM (pChEMBL 5.75)
Descriptors: MW 415.55, ALogP 4.25, HBA 4, HBD 2, PSA 65.46, QED 0.64
Compound (SMILES): CC(C)Oc1ccc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)cn1
InChIKey: OOSALVPGKLLXNQ-SFHVURJKSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 347.43, ALogP 3.18, HBA 5, HBD 2, PSA 67.27, QED 0.77
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(-c2cccc(C(=O)N(C)Cc3ccccc3)c2)ccc1F
InChIKey: VRBKHCIBCPEMFU-VWLOTQADSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 1490 nM (pChEMBL 5.829999923706055)
Descriptors: MW 435.54, ALogP 4.27, HBA 4, HBD 2, PSA 65.46, QED 0.53
Compound (SMILES): Cc1ccc(S(=O)(=O)C(F)(F)F)cc1-c1ccc(F)c(CN[C@@H](CO)C(C)C)n1
InChIKey: MRAJWDBLDCASJZ-SFHVURJKSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 630 nM (pChEMBL 6.199999809265137)
Descriptors: MW 434.46, ALogP 3.6, HBA 5, HBD 2, PSA 79.29, QED 0.65
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(-c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1F
InChIKey: ZYTKULYHXGPSIH-NRFANRHFSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 1080 nM (pChEMBL 5.96999979019165)
Descriptors: MW 421.54, ALogP 2.78, HBA 5, HBD 2, PSA 82.53, QED 0.68
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(-c2cccc(S(=O)(=O)N(C)C(C)(C)C)c2)ccc1F
InChIKey: PGNYOFLGYTYCLP-NRFANRHFSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 437.58, ALogP 3.41, HBA 5, HBD 2, PSA 82.53, QED 0.66
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(-c2cccc(C(=O)N3CCSCC3)c2)ccc1F
InChIKey: ZNWRJIGLJFYKTA-NRFANRHFSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 4000 nM (pChEMBL 5.400000095367432)
Descriptors: MW 417.55, ALogP 3.18, HBA 5, HBD 2, PSA 65.46, QED 0.72
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(-c2cccc3c2ccn3C)ccc1F
InChIKey: LXEQOHLAMSJAKJ-IBGZPJMESA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 1740 nM (pChEMBL 5.760000228881836)
Descriptors: MW 341.43, ALogP 3.49, HBA 4, HBD 2, PSA 50.08, QED 0.72
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(-c2ccc3ccn(C)c3c2)ccc1F
InChIKey: WIGOTUBHIWRCBV-IBGZPJMESA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 480 nM (pChEMBL 6.320000171661377)
Descriptors: MW 341.43, ALogP 3.49, HBA 4, HBD 2, PSA 50.08, QED 0.72
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(N2CCCC(C(F)(F)F)C2)ccc1F
InChIKey: DOOMMOODUSTJDK-CVRLYYSRSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 363.4, ALogP 3.11, HBA 4, HBD 2, PSA 48.39, QED 0.76
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(N2CCC(C(F)(F)F)CC2)ccc1F
InChIKey: QDWDQSZBEYQTOW-HNNXBMFYSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 220 nM (pChEMBL 6.659999847412109)
Descriptors: MW 363.4, ALogP 3.11, HBA 4, HBD 2, PSA 48.39, QED 0.76
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(N2CCC(C(F)(F)F)C2)ccc1F
InChIKey: OMWSVOGYTJFWBE-IAXJKZSUSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 420 nM (pChEMBL 6.380000114440918)
Descriptors: MW 349.37, ALogP 2.72, HBA 4, HBD 2, PSA 48.39, QED 0.78
Compound (SMILES): CC(C)[C@H](CO)NCc1cccc(-c2ccc(C(F)(F)F)nc2)n1
InChIKey: SLIBCYBIBSZOLG-HNNXBMFYSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 3720 nM (pChEMBL 5.429999828338623)
Descriptors: MW 339.36, ALogP 3.27, HBA 4, HBD 2, PSA 58.04, QED 0.85
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(N2CCc3ccccc3C2)ccc1F
InChIKey: NQWREFJZMHHDLK-IBGZPJMESA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 343.45, ALogP 2.89, HBA 4, HBD 2, PSA 48.39, QED 0.85
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(-c2cnc3ccccc3c2)ccc1F
InChIKey: NGMIWWJIKLMEEZ-FQEVSTJZSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 2390 nM (pChEMBL 5.619999885559082)
Descriptors: MW 339.41, ALogP 3.54, HBA 4, HBD 2, PSA 58.04, QED 0.72
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cn2)ccc1F
InChIKey: UXCBNHIUNRZNAA-INIZCTEOSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 357.35, ALogP 3.41, HBA 4, HBD 2, PSA 58.04, QED 0.78
Compound (SMILES): COCC(CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F
InChIKey: WAUBHFWCPAMTQD-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 3680 nM (pChEMBL 5.429999828338623)
Descriptors: MW 358.34, ALogP 3, HBA 4, HBD 2, PSA 54.38, QED 0.75
Compound (SMILES): OC[C@H](NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F)C1CC1
InChIKey: MXOLQYRKDFUTNU-HNNXBMFYSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 3020 nM (pChEMBL 5.519999980926514)
Descriptors: MW 355.34, ALogP 3.16, HBA 4, HBD 2, PSA 58.04, QED 0.78
Compound (SMILES): OC[C@H](NCc1nc(-c2ccc(OCC(F)(F)F)nc2)ccc1F)C1CC1
InChIKey: MRWLYWYWLSVJGK-INIZCTEOSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 385.36, ALogP 3.08, HBA 5, HBD 2, PSA 67.27, QED 0.68
Compound (SMILES): CC[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F
InChIKey: CMARQGBXNUSQLY-CYBMUJFWSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 540 nM (pChEMBL 6.269999980926514)
Descriptors: MW 342.34, ALogP 3.77, HBA 3, HBD 2, PSA 45.15, QED 0.79
Compound (SMILES): CC[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F
InChIKey: NRYBVWPNRGCWNC-LLVKDONJSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 10200 nM (pChEMBL 4.989999771118164)
Descriptors: MW 343.32, ALogP 3.16, HBA 4, HBD 2, PSA 58.04, QED 0.79
Compound (SMILES): OCC1(NCc2nc(-c3ccc(C(F)(F)F)cc3)ccc2F)CCC1
InChIKey: GMQOHIXULNOVMS-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 354.35, ALogP 3.91, HBA 3, HBD 2, PSA 45.15, QED 0.8
Compound (SMILES): OCC1(NCc2nc(-c3ccc(C(F)(F)F)cc3)ccc2F)CCCC1
InChIKey: PVOBWXWZVDNYED-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 368.37, ALogP 4.3, HBA 3, HBD 2, PSA 45.15, QED 0.77
Compound (SMILES): OCC1(NCc2nc(-c3ccc(C(F)(F)F)cc3)ccc2F)CCCCC1
InChIKey: QPTXCFWPIWTTMY-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 680 nM (pChEMBL 6.170000076293945)
Descriptors: MW 382.4, ALogP 4.69, HBA 3, HBD 2, PSA 45.15, QED 0.74
Compound (SMILES): C[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F
InChIKey: FAUJZZDFPUYWMV-SNVBAGLBSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 1640 nM (pChEMBL 5.789999961853027)
Descriptors: MW 328.31, ALogP 3.38, HBA 3, HBD 2, PSA 45.15, QED 0.83
Compound (SMILES): CCC[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F
InChIKey: RYVIXJSSNGLVSL-CQSZACIVSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 460 nM (pChEMBL 6.340000152587891)
Descriptors: MW 356.36, ALogP 4.16, HBA 3, HBD 2, PSA 45.15, QED 0.73
Compound (SMILES): OC[C@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F)C1CCCCC1
InChIKey: ZRKZQERLUHWIKW-FQEVSTJZSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 396.43, ALogP 4.94, HBA 3, HBD 2, PSA 45.15, QED 0.68
Compound (SMILES): CC(C)(C)[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F
InChIKey: AAMAICPUISICJY-KRWDZBQOSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 520 nM (pChEMBL 6.28000020980835)
Descriptors: MW 370.39, ALogP 4.4, HBA 3, HBD 2, PSA 45.15, QED 0.77
Compound (SMILES): CC(O)C(C)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F
InChIKey: NTFWRHSZUUKNBH-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 342.34, ALogP 3.77, HBA 3, HBD 2, PSA 45.15, QED 0.81
Compound (SMILES): CCC[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F
InChIKey: BRIDWQJJZHBXQC-GFCCVEGCSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 3100 nM (pChEMBL 5.510000228881836)
Descriptors: MW 357.35, ALogP 3.55, HBA 4, HBD 2, PSA 58.04, QED 0.74
Compound (SMILES): OC[C@H](NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F)C1CCCCC1
InChIKey: RGRCNMDCNMNHQV-SFHVURJKSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 570 nM (pChEMBL 6.239999771118164)
Descriptors: MW 397.42, ALogP 4.33, HBA 4, HBD 2, PSA 58.04, QED 0.71
Compound (SMILES): CC(C)(C)[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F
InChIKey: OTMWNCKTAIQVPN-INIZCTEOSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 371.38, ALogP 3.8, HBA 4, HBD 2, PSA 58.04, QED 0.79
Compound (SMILES): CC(O)C(C)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F
InChIKey: FBKIDXOCGBKXSQ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 2590 nM (pChEMBL 5.590000152587891)
Descriptors: MW 343.32, ALogP 3.16, HBA 4, HBD 2, PSA 58.04, QED 0.82
Compound (SMILES): CC(C)[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1
InChIKey: NACCZFUOBHKVBC-HNNXBMFYSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 339.36, ALogP 3.27, HBA 4, HBD 2, PSA 58.04, QED 0.85
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(N2CCC(F)(F)CC2)ccc1F
InChIKey: VVIMCKZVIGMOCM-AWEZNQCLSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 960 nM (pChEMBL 6.019999980926514)
Descriptors: MW 331.38, ALogP 2.56, HBA 4, HBD 2, PSA 48.39, QED 0.84
Compound (SMILES): CC(C)[C@H](CO)NCc1nc(N2Cc3ccc(F)cc3C2)ccc1F
InChIKey: WDQGGNITIUKLQS-SFHVURJKSA-N
Target: Transient receptor potential cation channel subfamily V member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NET8
Assay: Calcium Flux Assay: Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (λEX=470-495 nm, λEM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC.
Measurement: IC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 347.41, ALogP 2.99, HBA 4, HBD 2, PSA 48.39, QED 0.84