lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C
InChIKey: JJJSCYSPSKBQAX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase DCLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15075
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DCAMKL1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 307.36, ALogP 2.44, HBA 4, HBD 3, PSA 110.68, QED 0.69
Compound (SMILES): FC(F)(F)c1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c(C(F)(F)F)c1
InChIKey: IHGUHCPMDSTTIW-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: Inhibition Assay: 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 using 12 ng baculovirus-expressed Cdc7/Dbf4 and 2 μM Jerini peptide substrate A-A11 (biotin-C6linker-TPSDSLIYDDGLS) (SEQ ID NO:5). Reactions were initiated with λ-[33P]-ATP (1 μM, 20 mCi/μmol) and quenched after 1 hour with 5 volumes of stop buffer (50 mM EDTA, 2 M NaCl). The reactions were incubated for 30 minutes on streptavidin-coated plates, washed, and quantified using a TopCount scintillation plate reader (Packard). IC50 values are determined via non-linear regression fitting of the data. Ki values are generated assuming ATP-competitive (equilibrium) inhibition and using the experimentally determined apparent ATP Km of Cdc7 (0.7 μM).
Measurement: Ki > 1230 nM (pChEMBL 5.909999847412109)
Descriptors: MW 411.31, ALogP 4.91, HBA 4, HBD 1, PSA 59.39, QED 0.49
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSF1R
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: Tyrosine-protein kinase SYK (SINGLE PROTEIN), Homo sapiens
UniProt: P43405
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SYK
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Protein-tyrosine kinase 2-beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q14289
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK2B
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21
InChIKey: XCHWBXBDZRJVDP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase TAO1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7L7X3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TAO1
Measurement: Ki = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 426.4, ALogP 4.88, HBA 5, HBD 3, PSA 97.86, QED 0.43
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIKey: OEEGUWWPGAZRIJ-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 20 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NYL2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ZAK
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 362.43, ALogP 3.1, HBA 3, HBD 3, PSA 81.25, QED 0.67
Compound (SMILES): Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C
InChIKey: JJJSCYSPSKBQAX-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fyn (SINGLE PROTEIN), Homo sapiens
UniProt: P06241
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FYN
Measurement: Ki > 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 307.36, ALogP 2.44, HBA 4, HBD 3, PSA 110.68, QED 0.69
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: NT-3 growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16288
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK3
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13554
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2B
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21
InChIKey: XCHWBXBDZRJVDP-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Srms (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H3Y6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SRMS
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 426.4, ALogP 4.88, HBA 5, HBD 3, PSA 97.86, QED 0.43
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT1
Measurement: Ki > 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIKey: OEEGUWWPGAZRIJ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK2
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 362.43, ALogP 3.1, HBA 3, HBD 3, PSA 81.25, QED 0.67
Compound (SMILES): Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C
InChIKey: JJJSCYSPSKBQAX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51955
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NEK2
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 307.36, ALogP 2.44, HBA 4, HBD 3, PSA 110.68, QED 0.69
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: P53778
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK12
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IGF1R
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21
InChIKey: XCHWBXBDZRJVDP-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NWZ3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IRAK4
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 426.4, ALogP 4.88, HBA 5, HBD 3, PSA 97.86, QED 0.43
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: P53778
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK12
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIKey: OEEGUWWPGAZRIJ-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK6
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 362.43, ALogP 3.1, HBA 3, HBD 3, PSA 81.25, QED 0.67
Compound (SMILES): Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C
InChIKey: JJJSCYSPSKBQAX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53350
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK1
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 307.36, ALogP 2.44, HBA 4, HBD 3, PSA 110.68, QED 0.69
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT1
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Testis-specific serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96PF2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK22B
Measurement: Ki = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21
InChIKey: XCHWBXBDZRJVDP-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Lck (SINGLE PROTEIN), Homo sapiens
UniProt: P06239
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LCK
Measurement: Ki = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 426.4, ALogP 4.88, HBA 5, HBD 3, PSA 97.86, QED 0.43
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT1
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIKey: OEEGUWWPGAZRIJ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Lck (SINGLE PROTEIN), Homo sapiens
UniProt: P06239
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LCK
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 362.43, ALogP 3.1, HBA 3, HBD 3, PSA 81.25, QED 0.67
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: P53778
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK12
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fer (SINGLE PROTEIN), Homo sapiens
UniProt: P16591
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FER
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: BTK
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21
InChIKey: XCHWBXBDZRJVDP-UHFFFAOYSA-N
Target: Casein kinase II subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P68400
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK2A1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 426.4, ALogP 4.88, HBA 5, HBD 3, PSA 97.86, QED 0.43
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fer (SINGLE PROTEIN), Homo sapiens
UniProt: P16591
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FER
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIKey: OEEGUWWPGAZRIJ-UHFFFAOYSA-N
Target: Casein kinase II subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P68400
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK2A1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 362.43, ALogP 3.1, HBA 3, HBD 3, PSA 81.25, QED 0.67
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: BDNF/NT-3 growth factors receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16620
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK2
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: BDNF/NT-3 growth factors receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16620
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK2
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13557
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2D
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21
InChIKey: XCHWBXBDZRJVDP-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Lyn (SINGLE PROTEIN), Homo sapiens
UniProt: P07948
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LYN
Measurement: Ki = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 426.4, ALogP 4.88, HBA 5, HBD 3, PSA 97.86, QED 0.43
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: BDNF/NT-3 growth factors receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16620
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK2
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIKey: OEEGUWWPGAZRIJ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Lyn (SINGLE PROTEIN), Homo sapiens
UniProt: P07948
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LYN
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 362.43, ALogP 3.1, HBA 3, HBD 3, PSA 81.25, QED 0.67
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDPK1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 13 (SINGLE PROTEIN), Homo sapiens
UniProt: O15264
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK13
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21
InChIKey: XCHWBXBDZRJVDP-UHFFFAOYSA-N
Target: High affinity nerve growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04629
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK1
Measurement: Ki = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 426.4, ALogP 4.88, HBA 5, HBD 3, PSA 97.86, QED 0.43
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDPK1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIKey: OEEGUWWPGAZRIJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase TAO1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7L7X3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TAO1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 362.43, ALogP 3.1, HBA 3, HBD 3, PSA 81.25, QED 0.67
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDPK1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: STE20-like serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2G2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SLK
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MET
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21
InChIKey: XCHWBXBDZRJVDP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM3
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 426.4, ALogP 4.88, HBA 5, HBD 3, PSA 97.86, QED 0.43
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: STE20-like serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2G2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SLK
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIKey: OEEGUWWPGAZRIJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM3
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 362.43, ALogP 3.1, HBA 3, HBD 3, PSA 81.25, QED 0.67
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: STE20-like serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2G2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SLK
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14012
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCI
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21
InChIKey: XCHWBXBDZRJVDP-UHFFFAOYSA-N
Target: Casein kinase I isoform delta (SINGLE PROTEIN), Homo sapiens
UniProt: P48730
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1D
Measurement: Ki = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 426.4, ALogP 4.88, HBA 5, HBD 3, PSA 97.86, QED 0.43
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14012
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14012
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAZ1
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK4
Measurement: Ki = 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Rho-associated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O75116
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK2
Measurement: Ki = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21
InChIKey: XCHWBXBDZRJVDP-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28482
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 426.4, ALogP 4.88, HBA 5, HBD 3, PSA 97.86, QED 0.43
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P22607
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR3
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAZ1
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK4
Measurement: Ki = 100 nM (pChEMBL 7)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4K4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K5
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM1
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21
InChIKey: XCHWBXBDZRJVDP-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11362
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR1
Measurement: Ki = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 426.4, ALogP 4.88, HBA 5, HBD 3, PSA 97.86, QED 0.43
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAZ1
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK4
Measurement: Ki = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4K4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K5
Measurement: Ki = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P22607
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR3
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase Src (SINGLE PROTEIN), Homo sapiens
UniProt: P12931
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SRC
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4K4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K5
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase DCLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15075
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DCAMKL1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase DCLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15075
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DCAMKL1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase 17A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UEE5
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK17A
Measurement: Ki = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase DCLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15075
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DCAMKL1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P22607
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR3
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fyn (SINGLE PROTEIN), Homo sapiens
UniProt: P06241
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FYN
Measurement: Ki > 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HCP0
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G1
Measurement: Ki = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: Receptor tyrosine-protein kinase erbB-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15303
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ERBB4
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: Receptor tyrosine-protein kinase erbB-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15303
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ERBB4
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51955
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NEK2
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P35916
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT4
Measurement: Ki = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1
InChIKey: TWCARTFPHQNBPF-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fyn (SINGLE PROTEIN), Homo sapiens
UniProt: P06241
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FYN
Measurement: Ki > 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 343.41, ALogP 2.22, HBA 5, HBD 1, PSA 81.18, QED 0.69
Compound (SMILES): Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: YEKVTSRZMPLPFK-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fyn (SINGLE PROTEIN), Homo sapiens
UniProt: P06241
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FYN
Measurement: Ki > 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 346.31, ALogP 4.6, HBA 3, HBD 2, PSA 66.91, QED 0.71
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53350
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase MARK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7KZI7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MARK2
Measurement: Ki = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIKey: CKDGJQLBXUOVSI-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase MARK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7KZI7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MARK2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 278.29, ALogP 2.37, HBA 5, HBD 2, PSA 97.16, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Homeodomain-interacting protein kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NE63
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: HIPK4
Measurement: Ki = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 19 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BWU1
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC2L6
Measurement: Ki = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Rho-associated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13464
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK1
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: PYXQMJSGJIJHJT-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3B
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 415.52, ALogP 5.3, HBA 5, HBD 3, PSA 92.93, QED 0.41
Compound (SMILES): CCc1ccc2cc3c(cc2n1)C(=O)c1ccccc1-3
InChIKey: JGGWFSZOUTVTAA-UHFFFAOYSA-N
Target: Oxysterols receptor LXR-beta (SINGLE PROTEIN), Homo sapiens
UniProt: P55055
Assay: PubChem BioAssay. Counterscreen for agonists of the daf-12 abnormal Dauer Formation: Luminescence-based cell-based screening assay to identify agonists of the Liver-X-Receptor (LXR)..   (Class of assay: confirmatory) 
Measurement: IC50 > 67462 nM (pChEMBL 4.171000003814697)
Descriptors: MW 259.31, ALogP 4.01, HBA 2, HBD 0, PSA 29.96, QED 0.52
Compound (SMILES): C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(-c3cccs3)cc2)OCc2cnnn2CCCC1=O
InChIKey: LQHROLCQRFFWPT-ROKPMTFOSA-N
Target: Paired box protein Pax-8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06710
Assay: PubChem BioAssay. HTS for PAX8 inhibitors using PAX8 luciferase reporter gene assay in RMG-I cells Measured in Cell-Based System Using Plate Reader - 7054-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) 
Measurement: AC50 < 260 nM (pChEMBL 6.585000038146973)
Descriptors: MW 540.69, ALogP 3.7, HBA 8, HBD 2, PSA 112.82, QED 0.49
Compound (SMILES): CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1ccsc1
InChIKey: DDXUKZNBRWSWIY-UHFFFAOYSA-N
Target: Apoptotic protease-activating factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14727
Assay: PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluorescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID489030, AID492945]
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 338.38, ALogP 3.06, HBA 3, HBD 1, PSA 49.41, QED 0.88
Compound (SMILES): FC(F)(F)c1ccccc1Cc1c(-c2ccccc2)nc2ccc(Br)cn12
InChIKey: QXSYZIQPDIFWQS-UHFFFAOYSA-N
Target: Protein skinhead-1 (SINGLE PROTEIN), Caenorhabditis elegans
UniProt: P34707
Assay: PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory) 
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 431.26, ALogP 6.37, HBA 2, HBD 0, PSA 17.3, QED 0.37
Compound (SMILES): COc1cc2c(cc1OC)-c1cc(NCc3ccc4c(c3)OCO4)nc(=O)n1CC2
InChIKey: ZVQNAWNSVJRWOU-UHFFFAOYSA-N
Target: Hexokinase-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P19367
Assay: PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of hexokinase domain containing I (HKDC1) in the hexokinase 1 selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493160, AID493190]
Measurement: IC50 > 80000 nM (pChEMBL 4.0970001220703125)
Descriptors: MW 407.43, ALogP 2.82, HBA 8, HBD 1, PSA 83.84, QED 0.7
Compound (SMILES): COc1cccc(-c2noc(/C=C/c3ccccc3Cl)n2)c1
InChIKey: RSWNCWZHKJKAGT-MDZDMXLPSA-N
Target: Caspase-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P42574
Assay: PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific proteases (SENPs) using a Caspase-3 Selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2599, AID434973, AID489001]
Measurement: IC50 = 20000 nM (pChEMBL 4.699999809265137)
Descriptors: MW 312.76, ALogP 4.57, HBA 4, HBD 0, PSA 48.15, QED 0.71
Compound (SMILES): CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C\c1c[nH]c2ccccc12
InChIKey: LZZFOJKZSLTSDG-YUMHPJSZSA-N
Target: Sentrin-specific protease 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BQF6
Assay: PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 7 (SENP7) using a Luminescent assay - Set 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434973, AID434986]
Measurement: IC50 > 99000 nM (pChEMBL 4.004000186920166)
Descriptors: MW 528.66, ALogP 3.86, HBA 7, HBD 2, PSA 129.94, QED 0.25
Compound (SMILES): COc1ccccc1-c1sc2ccccc2c1-c1ccc(O)cc1
InChIKey: FESBWHDIQUMUOU-UHFFFAOYSA-N
Target: Heat shock protein HSP 90-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P07900
Assay: PUBCHEM_BIOASSAY: HsHsp90 Counterscreen Measured in Microorganism System Using Plate Reader - 2121-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504596]
Measurement: AC50 = 5216 nM (pChEMBL 5.28000020980835)
Descriptors: MW 332.42, ALogP 5.95, HBA 3, HBD 1, PSA 29.46, QED 0.5
Compound (SMILES): CCCn1c(CCNc2nc(-c3cccc(Br)c3)cs2)nc2ccccc21
InChIKey: RIVNKANIIWBZGA-UHFFFAOYSA-N
Target: Disintegrin and metalloproteinase domain-containing protein 17 (SINGLE PROTEIN), Homo sapiens
UniProt: P78536
Assay: PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM17.   (Class of assay: confirmatory) 
Measurement: IC50 > 69569 nM (pChEMBL 4.1579999923706055)
Descriptors: MW 441.4, ALogP 5.99, HBA 5, HBD 1, PSA 42.74, QED 0.38
Compound (SMILES): C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1ccccc1)NC(=O)[C@@H]1C[C@H]1c1ccccc1.O=C(O)C(F)(F)F
InChIKey: DAICHWDGVHZXTL-GVQZZHSISA-N
Target: Phospholipase D2 (SINGLE PROTEIN), Homo sapiens
UniProt: O14939
Assay: PUBCHEM_BIOASSAY: Cellular PLD2 concentration response. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588854]
Measurement: IC50  20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 432.57, ALogP 2.72, HBA 4, HBD 2, PSA 64.68, QED 0.74
Compound (SMILES): COc1ccc(/C=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1
InChIKey: OVVDNOVAKMLMDA-DTQAZKPQSA-N
Target: Hexokinase-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P19367
Assay: PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of hexokinase domain containing I (HKDC1) in the hexokinase 1 selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493160, AID493190]
Measurement: IC50 > 80000 nM (pChEMBL 4.0970001220703125)
Descriptors: MW 368.44, ALogP 4.62, HBA 4, HBD 0, PSA 44.12, QED 0.52
Compound (SMILES): CCOc1ccc(/C(C)=N/N2C(=O)C(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])S/C2=N\c2cccc(C)c2C)cc1
InChIKey: PXELMDFUCMFEMQ-ULSJMWSDSA-N
Target: Aldehyde dehydrogenase 1A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00352
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]
Measurement: Potency = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 589.67, ALogP 6, HBA 9, HBD 1, PSA 135.73, QED 0.17
Compound (SMILES): O=C1c2ccccc2C(O)(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1Cl
InChIKey: TWDJVCDAEAHIHS-UHFFFAOYSA-N
Target: Genome polyprotein (SINGLE PROTEIN), dengue virus type 2
UniProt: P29990
Assay: PUBCHEM_BIOASSAY: Primary and Confirmatory Screening for Flavivirus Genomic Capping Enzyme Inhibition. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588708, AID588742]
Measurement: IC50  60820 nM (pChEMBL 4.216000080108643)
Descriptors: MW 380.79, ALogP 4.1, HBA 4, HBD 1, PSA 83.68, QED 0.55
Compound (SMILES): COc1ccc(-n2nnnc2C(CCc2ccccc2)N2CCC(n3c(O)nc4ccccc43)CC2)cc1
InChIKey: DZPCLMYRRDKKSW-UHFFFAOYSA-N
Target: Paired box protein Pax-8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06710
Assay: PubChem BioAssay. HTS for PAX8 inhibitors using PAX8 luciferase reporter gene assay in RMG-I cells Measured in Cell-Based System Using Plate Reader - 7054-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) 
Measurement: AC50 = 7540 nM (pChEMBL 5.119999885559082)
Descriptors: MW 509.61, ALogP 4.74, HBA 9, HBD 1, PSA 94.12, QED 0.32
Compound (SMILES): c1cncc(-c2nc(NCCCn3cccc3)c3ccccc3n2)c1
InChIKey: HNYLXKIIQHZCJB-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P49840
Assay: PUBCHEM_BIOASSAY: Inhibition of Human GSK-3 alpha Activity Measured in Biochemical System Using Microfluidics - 2063-06_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2709]
Measurement: AC50 = 7630 nM (pChEMBL 5.119999885559082)
Descriptors: MW 329.41, ALogP 4, HBA 5, HBD 1, PSA 55.63, QED 0.54
Compound (SMILES): COC(C/C=C/[C@@H](O)[C@H](C)OCc1ccccc1)OC
InChIKey: VQFCTNUGJJZSHM-WOPSIANGSA-N
Target: CAAX prenyl protease 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y256
Assay: PUBCHEM_BIOASSAY: Human Ras-Converting Enzyme Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-04_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618]
Measurement: AC50 = 16530 nM (pChEMBL 4.78000020980835)
Descriptors: MW 280.36, ALogP 2.52, HBA 4, HBD 1, PSA 47.92, QED 0.56
Compound (SMILES): O=C(Nc1cccc(Cl)c1)OCCOCCOC(=O)Nc1cccc(Cl)c1
InChIKey: JCMRQWGIMATFIT-UHFFFAOYSA-N
Target: Disintegrin and metalloproteinase domain-containing protein 17 (SINGLE PROTEIN), Homo sapiens
UniProt: P78536
Assay: PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM17.   (Class of assay: confirmatory) 
Measurement: IC50 > 69433 nM (pChEMBL 4.1579999923706055)
Descriptors: MW 413.26, ALogP 4.81, HBA 5, HBD 2, PSA 85.89, QED 0.61
Compound (SMILES): C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)c1cc(Cl)cc(Cl)c1
InChIKey: KUJXUGQASSDLJW-PXAUIPFGSA-N
Target: Kallikrein-7 (SINGLE PROTEIN), Homo sapiens
UniProt: P49862
Assay: PubChem BioAssay. Fluorescence Intensity-based biochemical primary high throughput dose response assay to identify activators of kallikrein-7 (K7) zymogen.   (Class of assay: confirmatory) 
Measurement: EC50 > 23170 nM (pChEMBL 4.635000228881836)
Descriptors: MW 486.4, ALogP 4.44, HBA 3, HBD 2, PSA 76.64, QED 0.57