lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccncc3)ccc21.Cl.Cl.Cl
InChIKey: IJNASTIDRONSQX-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 540 nM (pChEMBL 6.269999980926514)
Descriptors: MW 501.63, ALogP 3.96, HBA 6, HBD 0, PSA 78.87, QED 0.31
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)Cc3ccncc3)ccc21.Cl.Cl
InChIKey: QCALWHVVQFDVCG-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 581.72, ALogP 4.72, HBA 7, HBD 0, PSA 87.98, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccncc3)ccc21.Cl.Cl
InChIKey: YSYOYMXDOKCTDM-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 571.68, ALogP 4.32, HBA 8, HBD 0, PSA 101.12, QED 0.2
Compound (SMILES): CN(CCN(CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2C)Cc1ccncc1)C(=O)c1ccccc1.Cl.Cl
InChIKey: KJMBLIYINJNYGO-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 690 nM (pChEMBL 6.159999847412109)
Descriptors: MW 557.7, ALogP 4.09, HBA 6, HBD 0, PSA 86.29, QED 0.26
Compound (SMILES): Cc1ccccc1CN(CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2C)CCc1cccnc1.Cl.Cl
InChIKey: HKJKUNDSZREHRQ-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 514.67, ALogP 4.87, HBA 5, HBD 0, PSA 65.98, QED 0.29
Compound (SMILES): CN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccnc4ccccc34)ccc21.Cl.Cl.Cl
InChIKey: VGQAWTWLDNYFHF-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 551.69, ALogP 5.11, HBA 6, HBD 0, PSA 78.87, QED 0.2
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccncc3C)ccc21.Cl.Cl.Cl
InChIKey: BZZNGQXPAACLLS-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 529.69, ALogP 4.65, HBA 6, HBD 0, PSA 78.87, QED 0.27
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3c(=O)ccc4ccccc43)Cc3ccncc3)ccc21
InChIKey: WOOQITHNVSFGKK-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 581.72, ALogP 4.72, HBA 7, HBD 0, PSA 87.98, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccsc4c3=O)Cc3ccncc3)ccc21
InChIKey: FBMPLKHXFQTJNM-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 587.75, ALogP 4.78, HBA 8, HBD 0, PSA 87.98, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)Cc3ccc(C#N)cc3)ccc21
InChIKey: MGRLWDRGBXQTMU-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 605.74, ALogP 5.2, HBA 7, HBD 0, PSA 98.88, QED 0.17
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)Cc3ccsc3)ccc21
InChIKey: KYZSDKSHODHMRD-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 586.76, ALogP 5.39, HBA 7, HBD 0, PSA 75.09, QED 0.17
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)Cc3ccco3)ccc21
InChIKey: BORCZNYMAGQEGS-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 570.69, ALogP 4.92, HBA 7, HBD 0, PSA 88.23, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccccc3)ccc21
InChIKey: NYSHIPDVLVFILL-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 514.67, ALogP 4.95, HBA 5, HBD 0, PSA 65.98, QED 0.27
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3cccc(C#N)c3)ccc21
InChIKey: OXMXIXOKIIPOHL-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 539.68, ALogP 4.82, HBA 6, HBD 0, PSA 89.77, QED 0.26
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccccc3-c3cccnc3)ccc21
InChIKey: HUIYSGLQEYEPFI-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 591.76, ALogP 6.01, HBA 6, HBD 0, PSA 78.87, QED 0.15
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccc(C#N)cc3)ccc21
InChIKey: UVMFWOKHXJEFRH-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 595.7, ALogP 4.79, HBA 8, HBD 0, PSA 112.02, QED 0.18
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccc(C(F)(F)F)cc3)ccc21
InChIKey: ALRMPHHZEVRXDO-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 638.69, ALogP 5.94, HBA 7, HBD 0, PSA 88.23, QED 0.15
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccccc3C)ccc21
InChIKey: PZCYDKAVVVBKMA-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 220 nM (pChEMBL 6.659999847412109)
Descriptors: MW 584.72, ALogP 5.23, HBA 7, HBD 0, PSA 88.23, QED 0.18
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3cccs3)ccc21
InChIKey: QEBMMPNMOSIUKC-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 576.72, ALogP 4.98, HBA 8, HBD 0, PSA 88.23, QED 0.18
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4oc(C)cc4c3=O)Cc3ccncc3)ccc21.Cl.Cl
InChIKey: IZBBPKRHWWFHSH-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 440 nM (pChEMBL 6.360000133514404)
Descriptors: MW 585.71, ALogP 4.62, HBA 8, HBD 0, PSA 101.12, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3cccnc3)ccc21
InChIKey: CVPXSNZJVBVYFQ-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 390 nM (pChEMBL 6.409999847412109)
Descriptors: MW 571.68, ALogP 4.32, HBA 8, HBD 0, PSA 101.12, QED 0.2
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4sccc4c3=O)Cc3cccnc3)ccc21
InChIKey: CHQGILRQWLEPAK-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 420 nM (pChEMBL 6.380000114440918)
Descriptors: MW 587.75, ALogP 4.78, HBA 8, HBD 0, PSA 87.98, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4oc(C)cc4c3=O)Cc3cnccc3C)ccc21
InChIKey: DKGJAPVNCYKUEE-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 330 nM (pChEMBL 6.480000019073486)
Descriptors: MW 599.73, ALogP 4.93, HBA 8, HBD 0, PSA 101.12, QED 0.18
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3cccnc3C)ccc21
InChIKey: HKOFDZHMCAXCDS-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 440 nM (pChEMBL 6.360000133514404)
Descriptors: MW 585.71, ALogP 4.62, HBA 8, HBD 0, PSA 101.12, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3cnccc3C)ccc21
InChIKey: ARVVRGOQCPEOLW-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 460 nM (pChEMBL 6.340000152587891)
Descriptors: MW 585.71, ALogP 4.62, HBA 8, HBD 0, PSA 101.12, QED 0.19
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4sccc4c3=O)Cc3cccnc3C)ccc21
InChIKey: CBJBDCXJQSNMSZ-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 601.77, ALogP 5.09, HBA 8, HBD 0, PSA 87.98, QED 0.18
Compound (SMILES): CCCc1ncccc1CN(CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2CC)CCn1ccc2oc(C)cc2c1=O.Cl.Cl
InChIKey: CDVFXKNCNBTLGA-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 627.79, ALogP 5.58, HBA 8, HBD 0, PSA 101.12, QED 0.14
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)S(=O)(=O)c3ccccc3)ccc21.Cl
InChIKey: NSPWCRPDGWVQPY-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 980 nM (pChEMBL 6.010000228881836)
Descriptors: MW 564.71, ALogP 4.14, HBA 6, HBD 0, PSA 100.12, QED 0.26
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3ccc(C)nc3C)ccc21.Cl.Cl
InChIKey: JYARMIMOJHILNZ-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 760 nM (pChEMBL 6.119999885559082)
Descriptors: MW 599.73, ALogP 4.93, HBA 8, HBD 0, PSA 101.12, QED 0.18
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)C(=O)c3ccccc3)ccc21.Cl
InChIKey: GCLFKWPLPHFPAN-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P22460
Assay: Inhibition of full-length human potassium channel Kv1.5 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 528.65, ALogP 4.59, HBA 5, HBD 0, PSA 83.05, QED 0.28
Compound (SMILES): CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)S(=O)(=O)c3ccccc3)ccc21
InChIKey: CMPJAGCXBOHFAF-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P48544
Assay: Inhibition of full-length human GIRK1/4 expresssed in CHO-K1 cells under holding potential at -80 mV by patch clamp method
Measurement: IC50 = 490 nM (pChEMBL 6.309999942779541)
Descriptors: MW 630.77, ALogP 4.52, HBA 7, HBD 0, PSA 109.23, QED 0.18
Compound (SMILES): C#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2.Cl
InChIKey: HJLJLHNZSSFTEL-NTISSMGPSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Displacement of [3H]-PrRP from human GPR10 receptor expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting method
Measurement: Ki = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 523.49, ALogP 4.28, HBA 6, HBD 1, PSA 91.02, QED 0.4
Compound (SMILES): C#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2.Cl
InChIKey: MIDAYWMQHTVYSD-NTISSMGPSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Displacement of [3H]-PrRP from human GPR10 receptor expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting method
Measurement: Ki = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 514.94, ALogP 4.92, HBA 5, HBD 1, PSA 67.23, QED 0.49
Compound (SMILES): C#CCn1c(N[C@@H](C)c2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2
InChIKey: GPVXFECHTYRHPG-INIZCTEOSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Displacement of [3H]-PrRP from human GPR10 receptor expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting method
Measurement: Ki = 42 nM (pChEMBL 7.380000114440918)
Descriptors: MW 481.38, ALogP 4.55, HBA 5, HBD 1, PSA 67.23, QED 0.54
Compound (SMILES): C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1ccc(C#N)cc1F)CC2)c1ccc(C(F)(F)F)cc1.Cl
InChIKey: NDWLWQHPBFHMPF-RSAXXLAASA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Displacement of [3H]-PrRP from human GPR10 receptor expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting method
Measurement: Ki = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 528.51, ALogP 3.84, HBA 7, HBD 1, PSA 94.26, QED 0.51
Compound (SMILES): C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1ccc(Cl)cc1)CC2)c1ccc(C(F)(F)F)cc1.Cl
InChIKey: ICASRNLWNJGQBL-RSAXXLAASA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Displacement of [3H]-PrRP from human GPR10 receptor expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting method
Measurement: Ki = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 519.96, ALogP 4.48, HBA 6, HBD 1, PSA 70.47, QED 0.54
Compound (SMILES): C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1ccc(Cl)cc1)CC2)c1ccc(Cl)cc1.Cl
InChIKey: KGNVSMGYVIONPK-RSAXXLAASA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Displacement of [3H]-PrRP from human GPR10 receptor expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting method
Measurement: Ki = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 486.4, ALogP 4.12, HBA 6, HBD 1, PSA 70.47, QED 0.59
Compound (SMILES): COn1c(N[C@@H](C)c2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2
InChIKey: WOMVDTYTOSGQKS-AWEZNQCLSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Displacement of [3H]-PrRP from human GPR10 receptor expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting method
Measurement: Ki = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 473.36, ALogP 3.98, HBA 6, HBD 1, PSA 76.46, QED 0.61
Compound (SMILES): COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2.Cl
InChIKey: GZYNJVMETMJIOC-UQKRIMTDSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 506.91, ALogP 4.35, HBA 6, HBD 1, PSA 76.46, QED 0.56
Compound (SMILES): COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2.Cl
InChIKey: VBWKFAXAWXUSQQ-UQKRIMTDSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 515.47, ALogP 3.7, HBA 7, HBD 1, PSA 100.25, QED 0.52
Compound (SMILES): COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2
InChIKey: OAKGSJNBUNMMMG-AWEZNQCLSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 686 nM (pChEMBL 6.159999847412109)
Descriptors: MW 556.46, ALogP 4.59, HBA 7, HBD 1, PSA 85.69, QED 0.45
Compound (SMILES): CCOn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2
InChIKey: UGYLMEUHQNXYJB-HNNXBMFYSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 3710 nM (pChEMBL 5.429999828338623)
Descriptors: MW 520.94, ALogP 4.74, HBA 6, HBD 1, PSA 76.46, QED 0.51
Compound (SMILES): CCOn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1)CC2
InChIKey: PKZJUTACMITOGZ-INIZCTEOSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 156 nM (pChEMBL 6.809999942779541)
Descriptors: MW 511.5, ALogP 3.95, HBA 7, HBD 1, PSA 100.25, QED 0.54
Compound (SMILES): CCOn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2
InChIKey: TUNWVDSPXXVZAA-HNNXBMFYSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 227 nM (pChEMBL 6.639999866485596)
Descriptors: MW 529.49, ALogP 4.09, HBA 7, HBD 1, PSA 100.25, QED 0.48
Compound (SMILES): CCOn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(-c3cnco3)cc1)CC2
InChIKey: ADBZYMOKGJVIQN-KRWDZBQOSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 158 nM (pChEMBL 6.800000190734863)
Descriptors: MW 553.54, ALogP 4.74, HBA 8, HBD 1, PSA 102.49, QED 0.35
Compound (SMILES): CCOn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3cccnc3s1)CC2
InChIKey: HHJIRLUNLPSAJO-HNNXBMFYSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 1684 nM (pChEMBL 5.769999980926514)
Descriptors: MW 543.57, ALogP 4.69, HBA 8, HBD 1, PSA 89.35, QED 0.38
Compound (SMILES): C[C@H](Nc1nc2c(c(=O)n1N1CCCC1)CN(C(=O)c1ccc(C#N)cc1)CC2)c1ccc(C(F)(F)F)cc1
InChIKey: UTZHXZWWDPLZNV-SFHVURJKSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 648 nM (pChEMBL 6.190000057220459)
Descriptors: MW 536.56, ALogP 4.24, HBA 7, HBD 1, PSA 94.26, QED 0.52
Compound (SMILES): C[C@H](Nc1nc2c(c(=O)n1N1CCCC1)CN(C(=O)c1ccc(C#N)cc1F)CC2)c1ccc(C(F)(F)F)cc1
InChIKey: UKUPQDJSUUDRIY-KRWDZBQOSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 298 nM (pChEMBL 6.53000020980835)
Descriptors: MW 554.55, ALogP 4.38, HBA 7, HBD 1, PSA 94.26, QED 0.47
Compound (SMILES): COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1)CC2
InChIKey: TTYPSQMIKGPQGE-HNNXBMFYSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 497.48, ALogP 3.56, HBA 7, HBD 1, PSA 100.25, QED 0.58
Compound (SMILES): COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)COc1ccc(Cl)cc1)CC2
InChIKey: CAJBULXBCHTSHU-HNNXBMFYSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 678 nM (pChEMBL 6.170000076293945)
Descriptors: MW 536.94, ALogP 4.11, HBA 7, HBD 1, PSA 85.69, QED 0.49
Compound (SMILES): COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)CSc1ccc(Cl)cc1)CC2
InChIKey: NRCGHCDQRHLLQE-HNNXBMFYSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 1140 nM (pChEMBL 5.940000057220459)
Descriptors: MW 553.01, ALogP 4.82, HBA 7, HBD 1, PSA 76.46, QED 0.42
Compound (SMILES): COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)CCc1ccc(Cl)cc1)CC2
InChIKey: NFKQBFPTPKKCGZ-INIZCTEOSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 3896 nM (pChEMBL 5.409999847412109)
Descriptors: MW 534.97, ALogP 4.66, HBA 6, HBD 1, PSA 76.46, QED 0.48
Compound (SMILES): COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)/C=C/c1ccc(Cl)cc1)CC2
InChIKey: AWAUQRUBWDSGPH-SRXKAHCNSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 5793 nM (pChEMBL 5.239999771118164)
Descriptors: MW 532.95, ALogP 4.75, HBA 6, HBD 1, PSA 76.46, QED 0.46
Compound (SMILES): COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)c(C)c1)CC2
InChIKey: YUDUDNNKQJKTLW-HNNXBMFYSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 2225 nM (pChEMBL 5.650000095367432)
Descriptors: MW 520.94, ALogP 4.65, HBA 6, HBD 1, PSA 76.46, QED 0.53
Compound (SMILES): CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(-n3ccnc3)cc1)CC2.Cl.Cl
InChIKey: VKZZTMCAEMAWPE-FJSYBICCSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 99 nM (pChEMBL 7)
Descriptors: MW 560.58, ALogP 4.84, HBA 7, HBD 1, PSA 85.05, QED 0.34
Compound (SMILES): COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3cc(Cl)ccc3o1)CC2
InChIKey: XFPKKWOGUVXBDL-AWEZNQCLSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 824 nM (pChEMBL 6.079999923706055)
Descriptors: MW 546.93, ALogP 5.09, HBA 7, HBD 1, PSA 89.6, QED 0.37
Compound (SMILES): COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C)s1)CC2
InChIKey: AYOROMCOKBCBBM-AWEZNQCLSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 1128 nM (pChEMBL 5.949999809265137)
Descriptors: MW 492.52, ALogP 4.06, HBA 7, HBD 1, PSA 76.46, QED 0.58
Compound (SMILES): COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)s1)CC2
InChIKey: NUWZTQHXTNFRCY-LBPRGKRZSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 8793 nM (pChEMBL 5.059999942779541)
Descriptors: MW 512.94, ALogP 4.41, HBA 7, HBD 1, PSA 76.46, QED 0.55
Compound (SMILES): CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2.Cl
InChIKey: PWWQROCSSHFYQD-LMOVPXPDSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 78 nM (pChEMBL 7.110000133514404)
Descriptors: MW 537.52, ALogP 4.67, HBA 6, HBD 1, PSA 91.02, QED 0.38
Compound (SMILES): CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1)CC2.Cl
InChIKey: DOVJEPMJHHJJPQ-FERBBOLQSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 207 nM (pChEMBL 6.679999828338623)
Descriptors: MW 519.53, ALogP 4.53, HBA 6, HBD 1, PSA 91.02, QED 0.5
Compound (SMILES): CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2.Cl
InChIKey: QIXDSDBJVBXOGC-LMOVPXPDSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 2440 nM (pChEMBL 5.610000133514404)
Descriptors: MW 528.96, ALogP 5.31, HBA 5, HBD 1, PSA 67.23, QED 0.46
Compound (SMILES): CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(-c3cnco3)cc1)CC2.Cl
InChIKey: RKIIWHLLYWOEMF-FYZYNONXSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 665 nM (pChEMBL 6.179999828338623)
Descriptors: MW 561.56, ALogP 5.31, HBA 7, HBD 1, PSA 93.26, QED 0.32
Compound (SMILES): CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3ccccn3n1)CC2.Cl
InChIKey: HRCWRLGOKBAQTR-FERBBOLQSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 776 nM (pChEMBL 6.110000133514404)
Descriptors: MW 534.54, ALogP 4.3, HBA 7, HBD 1, PSA 84.53, QED 0.39
Compound (SMILES): CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc3c(c1)CCC(=O)N3)CC2.Cl
InChIKey: ZBRMWBFZLTWTRV-FERBBOLQSA-N
Target: Prolactin-releasing peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P49683
Assay: Antagonist activity against human GPR10 receptor expressed in HEK293 cells assessed as inhibition of PrRP-induced intracellular calcium mobilization pre-incubated for 15 mins before PrRP addition by Fluo-8 dye based fluorescence imaging plate reader method
Measurement: IC50 = 259 nM (pChEMBL 6.590000152587891)
Descriptors: MW 563.58, ALogP 4.54, HBA 6, HBD 2, PSA 96.33, QED 0.44
Compound (SMILES): O=C(CNc1cccc(C(=O)Nc2ccccc2)c1)N/N=C/c1ccncc1
InChIKey: XHFJYOGNWBJZAX-ZVHZXABRSA-N
Target: G protein-coupled receptor kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P35626
Assay: Inhibition of GRK3 (unknown origin) after 90 to 120 mins by Kinase-Glo assay
Measurement: Ki = 10 nM (pChEMBL 8)
Descriptors: MW 373.42, ALogP 2.9, HBA 5, HBD 3, PSA 95.48, QED 0.44
Compound (SMILES): O=C(CNc1cccc(C(=O)Nc2ccccc2)c1)N/N=C/c1c(Cl)cncc1Cl
InChIKey: VRKITNLDCQGIJI-NSKAYECMSA-N
Target: G protein-coupled receptor kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P34947
Assay: Inhibition of GRK5 (unknown origin) after 90 to 120 mins by Kinase-Glo assay
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 442.31, ALogP 4.2, HBA 5, HBD 3, PSA 95.48, QED 0.38
Compound (SMILES): Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CN2C(=O)C(C)(C)c3ccccc32)CC1
InChIKey: LFOBXUQXQIBRRP-SAABIXHNSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Antagonist activity against rat/human CRFR1 expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 425.96, ALogP 4.66, HBA 3, HBD 1, PSA 62.3, QED 0.77
Compound (SMILES): Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CN2C(=O)C3(CC3)c3cc(F)ccc32)CC1
InChIKey: IMAXYSCPKOIFBE-RZDIXWSQSA-N
Target: Corticotropin-releasing factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13324
Assay: Antagonist activity against human CRFR2-alpha/rat CRFR2-beta expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 811 nM (pChEMBL 6.090000152587891)
Descriptors: MW 441.93, ALogP 4.55, HBA 3, HBD 1, PSA 62.3, QED 0.76
Compound (SMILES): Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CN2C(=O)C(C)(C)c3cccc(Cl)c32)CC1
InChIKey: KCPHVCVRMSDLQN-JCNLHEQBSA-N
Target: Corticotropin-releasing factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13324
Assay: Antagonist activity against human CRFR2-alpha/rat CRFR2-beta expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 936 nM (pChEMBL 6.03000020980835)
Descriptors: MW 460.41, ALogP 5.31, HBA 3, HBD 1, PSA 62.3, QED 0.67
Compound (SMILES): COc1cccc2c1N(C[C@H]1CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC1)C(=O)C2(C)C
InChIKey: MLRSLDAUHHMFFB-JCNLHEQBSA-N
Target: Corticotropin-releasing factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13324
Assay: Antagonist activity against human CRFR2-alpha/rat CRFR2-beta expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 1685 nM (pChEMBL 5.769999980926514)
Descriptors: MW 508.97, ALogP 5.98, HBA 3, HBD 1, PSA 58.64, QED 0.54
Compound (SMILES): Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CN2C(=O)[C@@](C)(F)c3ccccc32)CC1
InChIKey: OIXNYOOXUYKBKE-YGJVYZRNSA-N
Target: Corticotropin-releasing factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13324
Assay: Antagonist activity against human CRFR2-alpha/rat CRFR2-beta expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 4587 nM (pChEMBL 5.340000152587891)
Descriptors: MW 429.92, ALogP 4.56, HBA 3, HBD 1, PSA 62.3, QED 0.77
Compound (SMILES): Cc1cccc2c1N(C[C@H]1CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC1)C(=O)C2(C)C
InChIKey: CKABLAFSGQCWHF-SAABIXHNSA-N
Target: Corticotropin-releasing factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13324
Assay: Antagonist activity against human CRFR2-alpha/rat CRFR2-beta expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 2137 nM (pChEMBL 5.670000076293945)
Descriptors: MW 492.97, ALogP 6.28, HBA 2, HBD 1, PSA 49.41, QED 0.55
Compound (SMILES): Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CN2C(=O)C(F)(F)c3ccc(Cl)cc32)CC1
InChIKey: FSPUCNMCLSWKHA-SAZUREKKSA-N
Target: Corticotropin-releasing factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13324
Assay: Antagonist activity against human CRFR2-alpha/rat CRFR2-beta expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 3124 nM (pChEMBL 5.5)
Descriptors: MW 468.33, ALogP 5.12, HBA 3, HBD 1, PSA 62.3, QED 0.68
Compound (SMILES): Cc1cccc2c1C(C)(C)C(=O)N2C[C@H]1CC[C@H](NC(=O)c2cc(Cl)cnc2C)CC1
InChIKey: SFKMNPGMVSBQBH-UAPYVXQJSA-N
Target: Corticotropin-releasing factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13324
Assay: Antagonist activity against human CRFR2-alpha/rat CRFR2-beta expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 4810 nM (pChEMBL 5.320000171661377)
Descriptors: MW 439.99, ALogP 4.96, HBA 3, HBD 1, PSA 62.3, QED 0.73
Compound (SMILES): COc1ccc2c(c1)N(C[C@H]1CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC1)C(=O)C2(C)C
InChIKey: LYUQTUCFDNXTIZ-SAABIXHNSA-N
Target: Corticotropin-releasing factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13324
Assay: Antagonist activity against human CRFR2-alpha/rat CRFR2-beta expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 3045 nM (pChEMBL 5.519999980926514)
Descriptors: MW 455.99, ALogP 4.67, HBA 4, HBD 1, PSA 71.53, QED 0.71
Compound (SMILES): Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CN2C(=O)C(C)(C)c3ccc(Cl)cc32)CC1
InChIKey: GSPYQBCRQYYWPQ-RZDIXWSQSA-N
Target: Corticotropin-releasing factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13324
Assay: Antagonist activity against human CRFR2-alpha/rat CRFR2-beta expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 4620 nM (pChEMBL 5.329999923706055)
Descriptors: MW 460.41, ALogP 5.31, HBA 3, HBD 1, PSA 62.3, QED 0.67
Compound (SMILES): Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CN2C(=O)C(C)(F)c3ccc(Cl)cc32)CC1
InChIKey: ZEGBRYNTIJDVHP-UDTBGMHVSA-N
Target: Corticotropin-releasing factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13324
Assay: Antagonist activity against human CRFR2-alpha/rat CRFR2-beta expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 876 nM (pChEMBL 6.059999942779541)
Descriptors: MW 464.37, ALogP 5.22, HBA 3, HBD 1, PSA 62.3, QED 0.68
Compound (SMILES): CCn1c(=O)n(C[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)c2ccccc21
InChIKey: FFMNQLRIMQJKNK-SAABIXHNSA-N
Target: Corticotropin-releasing factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13324
Assay: Antagonist activity against human CRFR2-alpha/rat CRFR2-beta expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 256 nM (pChEMBL 6.590000152587891)
Descriptors: MW 426.95, ALogP 4.17, HBA 5, HBD 1, PSA 68.92, QED 0.67
Compound (SMILES): Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2c(=O)n(CC(C)C)c3ccccc32)CC1
InChIKey: LSFVOPLRJHUUNQ-KESTWPANSA-N
Target: Corticotropin-releasing factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13324
Assay: Antagonist activity against human CRFR2-alpha/rat CRFR2-beta expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 296 nM (pChEMBL 6.53000020980835)
Descriptors: MW 455, ALogP 4.8, HBA 5, HBD 1, PSA 68.92, QED 0.58
Compound (SMILES): Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2c(=O)n(C)c3ccccc32)CC1
InChIKey: MCGINKGRHKIVAN-JCNLHEQBSA-N
Target: Corticotropin-releasing factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13324
Assay: Antagonist activity against human CRFR2-alpha/rat CRFR2-beta expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 3560 nM (pChEMBL 5.449999809265137)
Descriptors: MW 412.92, ALogP 3.69, HBA 5, HBD 1, PSA 68.92, QED 0.71
Compound (SMILES): Cc1cc2c(cc1C)C(C)(F)C(=O)N2C[C@H]1CC[C@H](NC(=O)c2cc(Cl)cnc2C)CC1
InChIKey: PHUJLCDWLLJDKH-UPNAAVACSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Antagonist activity against rat/human CRFR1 expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 59 nM (pChEMBL 7.230000019073486)
Descriptors: MW 457.98, ALogP 5.18, HBA 3, HBD 1, PSA 62.3, QED 0.69
Compound (SMILES): O=C(N[C@H]1CC[C@H](CN2C(=O)Cc3ccc(F)cc32)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIKey: IVVWFUOZTWGACZ-WJYNOGRTSA-N
Target: Corticotropin-releasing factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13324
Assay: Antagonist activity against human CRFR2-alpha/rat CRFR2-beta expressed in CHO cells assessed as inhibition of rat/human CRF-induced cAMP accumulation pre-incubated for 15 mins before CRF stimulation for 30 mins by FRET based HTRF assay
Measurement: IC50 = 3874 nM (pChEMBL 5.409999847412109)
Descriptors: MW 468.88, ALogP 5.38, HBA 2, HBD 1, PSA 49.41, QED 0.61
Compound (SMILES): COc1ccc2oc(-c3cn4nc(OC)sc4n3)cc2c1
InChIKey: QRBADYWEXPRXPM-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity at PAR4 in human washed platelets assessed as inhibition of gamma-thrombin-induced platelet aggregation preincubated for 5 mins followed by gamma-thrombin addition and measured every 50 secs for up to 15 mins starting from 10 secs post gamma-thrombin addition in presence of recombinant hirudin
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 301.33, ALogP 3.22, HBA 7, HBD 0, PSA 61.79, QED 0.58
Compound (SMILES): COc1nn2cc(-c3cc4c(OC)ccc(OC)c4o3)nc2s1
InChIKey: NQUGUJFIXXERQU-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity at PAR4 in human washed platelets assessed as inhibition of gamma-thrombin-induced platelet aggregation preincubated for 5 mins followed by gamma-thrombin addition and measured every 50 secs for up to 15 mins starting from 10 secs post gamma-thrombin addition in presence of recombinant hirudin
Measurement: IC50 = 2100 nM (pChEMBL 5.679999828338623)
Descriptors: MW 331.35, ALogP 3.23, HBA 8, HBD 0, PSA 71.02, QED 0.57
Compound (SMILES): COc1nn2cc(-c3cc4ccc(OCc5ccccc5)cc4o3)nc2s1
InChIKey: MDVAJAPMJCGGDY-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity at PAR4 in human washed platelets assessed as inhibition of gamma-thrombin-induced platelet aggregation preincubated for 5 mins followed by gamma-thrombin addition and measured every 50 secs for up to 15 mins starting from 10 secs post gamma-thrombin addition in presence of recombinant hirudin
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 377.43, ALogP 4.79, HBA 7, HBD 0, PSA 61.79, QED 0.44
Compound (SMILES): COc1nn2cc(-c3nc4c(C)cccc4o3)nc2s1
InChIKey: LIWMNSQIQQBDDH-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 31.98 nM (pChEMBL 7.5)
Descriptors: MW 286.32, ALogP 2.92, HBA 7, HBD 0, PSA 65.45, QED 0.57
Compound (SMILES): CCC(C)(C)c1ccc2oc(-c3cn4nc(SC)sc4n3)nc2c1
InChIKey: KSTGAOWRWUIRNJ-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 107 nM (pChEMBL 6.96999979019165)
Descriptors: MW 358.49, ALogP 5.01, HBA 7, HBD 0, PSA 56.22, QED 0.48
Compound (SMILES): COc1nn2cc(-c3nc4cc(F)ccc4o3)nc2s1
InChIKey: ZEWFIBZMELMBAI-UHFFFAOYSA-N
Target: Proteinase-activated receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RI0
Assay: Antagonist activity against human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization incubated for 30 mins before agonist addition by FLIPR assay
Measurement: IC50 = 49.57 nM (pChEMBL 7.300000190734863)
Descriptors: MW 290.28, ALogP 2.75, HBA 7, HBD 0, PSA 65.45, QED 0.57