lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCOC(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1
InChIKey: VHQAJFNLPQULSV-UHFFFAOYSA-N
Target: Polyunsaturated fatty acid lipoxygenase ALOX15 (SINGLE PROTEIN), Homo sapiens
UniProt: P16050
Assay: Inhibition of 15-LOX (unknown origin)
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 352.48, ALogP 5.22, HBA 4, HBD 2, PSA 50.36, QED 0.67
Compound (SMILES): c1ccc(CNC[C@@H]2CCO[C@H](c3ccccc3)O2)cc1
InChIKey: SOACKJMWSBJZLO-ROUUACIJSA-N
Target: Sigma non-opioid intracellular receptor 1 (SINGLE PROTEIN), Cavia porcellus
UniProt: Q60492
Assay: Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes incubated for 120 mins by scintillation counting method in the presence of pentazocine
Measurement: Ki = 314 nM (pChEMBL 6.5)
Descriptors: MW 283.37, ALogP 3.28, HBA 3, HBD 1, PSA 30.49, QED 0.91
Compound (SMILES): c1ccc(CNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1
InChIKey: GQYRZFAINHVYIL-UHFFFAOYSA-N
Target: Sigma non-opioid intracellular receptor 1 (SINGLE PROTEIN), Cavia porcellus
UniProt: Q60492
Assay: Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes incubated for 120 mins by scintillation counting method in the presence of pentazocine
Measurement: Ki = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 359.47, ALogP 4.48, HBA 3, HBD 1, PSA 30.49, QED 0.7
Compound (SMILES): CCCCCCOC(C)(C)[C@@H](O)COc1ccc(C(CC)(CC)c2ccc(OC[C@@H](O)CO)c(C)c2)cc1C
InChIKey: REMWLTCCMVFNHB-IZEXYCQBSA-N
Target: Vitamin D3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P11473
Assay: Agonist activity at human VDR expressed in HEK293 cells co-expressing CMX-GAL4N and TK-MH100x4-LUC assessed as induction of transcriptional activity by beta-galactosidase reporter gene assay
Measurement: EC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 544.77, ALogP 6.26, HBA 6, HBD 3, PSA 88.38, QED 0.19
Compound (SMILES): CCCCCCOC(C)(C)[C@H](O)COc1ccc(C(CC)(CC)c2ccc(OC[C@@H](O)CO)c(C)c2)cc1C
InChIKey: REMWLTCCMVFNHB-QCENPCRXSA-N
Target: Vitamin D3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P11473
Assay: Agonist activity at human VDR expressed in HEK293 cells co-expressing CMX-GAL4N and TK-MH100x4-LUC assessed as induction of transcriptional activity by beta-galactosidase reporter gene assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 544.77, ALogP 6.26, HBA 6, HBD 3, PSA 88.38, QED 0.19
Compound (SMILES): CCCCOc1cccc2c1C(=O)c1c(OCCCC)cc(CO)cc1C2=O
InChIKey: KVFNBLJYFYUHFJ-UHFFFAOYSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as formation of the DOPA chrome preincubated for 10 mins followed by substrate addition measured for 1 min by spectrophotometric analysis
Measurement: IC50 = 32810 nM (pChEMBL 4.480000019073486)
Descriptors: MW 382.46, ALogP 4.31, HBA 5, HBD 1, PSA 72.83, QED 0.56
Compound (SMILES): C=CCOc1cccc2c1C(=O)c1c(OCC=C)cc(CO)cc1C2=O
InChIKey: GERINBZSZJILRP-UHFFFAOYSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as formation of the DOPA chrome preincubated for 10 mins followed by substrate addition measured for 1 min by spectrophotometric analysis
Measurement: IC50 = 90990 nM (pChEMBL 4.039999961853027)
Descriptors: MW 350.37, ALogP 3.08, HBA 5, HBD 1, PSA 72.83, QED 0.66
Compound (SMILES): C=CCOc1cccc2c1C(=O)c1c(OCC=C)cc(C=O)cc1C2=O
InChIKey: FUKFIWUBCVWRSC-UHFFFAOYSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as formation of the DOPA chrome preincubated for 10 mins followed by substrate addition measured for 1 min by spectrophotometric analysis
Measurement: IC50 = 92370 nM (pChEMBL 4.03000020980835)
Descriptors: MW 348.35, ALogP 3.4, HBA 5, HBD 0, PSA 69.67, QED 0.48
Compound (SMILES): NC(=S)N/N=C/c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O
InChIKey: FIAUXBRSJIRFMX-NGYBGAFCSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as formation of the DOPA chrome preincubated for 10 mins followed by substrate addition measured for 1 min by spectrophotometric analysis
Measurement: IC50 = 24520 nM (pChEMBL 4.610000133514404)
Descriptors: MW 341.35, ALogP 1.04, HBA 6, HBD 4, PSA 125.01, QED 0.31
Compound (SMILES): COc1cccc2c1C(=O)c1c(OC)cc(/C=N/NC(N)=S)cc1C2=O
InChIKey: YPNJXFQNLVQXND-DNTJNYDQSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as formation of the DOPA chrome preincubated for 10 mins followed by substrate addition measured for 1 min by spectrophotometric analysis
Measurement: IC50 = 28050 nM (pChEMBL 4.550000190734863)
Descriptors: MW 369.4, ALogP 1.65, HBA 6, HBD 2, PSA 103.01, QED 0.41
Compound (SMILES): C=CCOc1cccc2c1C(=O)c1c(OCC=C)cc(/C=N/O)cc1C2=O
InChIKey: XQCMZISJZBIIJG-WSDLNYQXSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as formation of the DOPA chrome preincubated for 10 mins followed by substrate addition measured for 1 min by spectrophotometric analysis
Measurement: IC50 = 83170 nM (pChEMBL 4.079999923706055)
Descriptors: MW 363.37, ALogP 3.4, HBA 6, HBD 1, PSA 85.19, QED 0.3
Compound (SMILES): CCOCOc1cccc2c1C(=O)c1c(OCOCC)cc(/C=N/NC(N)=S)cc1C2=O
InChIKey: ABHRYTPVKCBCME-YSURURNPSA-N
Target: Tyrosinase (SINGLE PROTEIN), Agaricus bisporus
UniProt: O42713
Assay: Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as formation of the DOPA chrome preincubated for 10 mins followed by substrate addition measured for 1 min by spectrophotometric analysis
Measurement: IC50 = 58060 nM (pChEMBL 4.239999771118164)
Descriptors: MW 457.51, ALogP 2.37, HBA 8, HBD 2, PSA 121.47, QED 0.16
Compound (SMILES): CN(CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)CC(=O)N1CCOCC1
InChIKey: FRUZIJBUVKTDFU-UHFFFAOYSA-N
Target: G-protein coupled receptor family C group 6 member A (SINGLE PROTEIN), Mus musculus
UniProt: Q8K4Z6
Assay: Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulation after 1 hr by FRET assay
Measurement: IC50 = 21877.62 nM (pChEMBL 4.659999847412109)
Descriptors: MW 391.47, ALogP 2.81, HBA 4, HBD 1, PSA 65.64, QED 0.66
Compound (SMILES): CN(CC(=O)c1c(-c2ccccc2)[nH]c2ccc(F)cc12)CC(=O)N1CCOCC1
InChIKey: CBDIOWCXCARSDH-UHFFFAOYSA-N
Target: G-protein coupled receptor family C group 6 member A (SINGLE PROTEIN), Mus musculus
UniProt: Q8K4Z6
Assay: Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulation after 1 hr by FRET assay
Measurement: IC50 = 39810.72 nM (pChEMBL 4.400000095367432)
Descriptors: MW 409.46, ALogP 2.95, HBA 4, HBD 1, PSA 65.64, QED 0.64
Compound (SMILES): COc1ccc2[nH]c(-c3ccccc3)c(C(=O)CN(C)CC(=O)N3CCOCC3)c2c1
InChIKey: LYIHJKGXTOKLHM-UHFFFAOYSA-N
Target: G-protein coupled receptor family C group 6 member A (SINGLE PROTEIN), Mus musculus
UniProt: Q8K4Z6
Assay: Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulation after 1 hr by FRET assay
Measurement: IC50 = 66069.34 nM (pChEMBL 4.179999828338623)
Descriptors: MW 421.5, ALogP 2.82, HBA 5, HBD 1, PSA 74.87, QED 0.59
Compound (SMILES): CN(CC(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12)CC(=O)N1CCOCC1
InChIKey: IVHFKWUBKJQNBN-UHFFFAOYSA-N
Target: G-protein coupled receptor family C group 6 member A (SINGLE PROTEIN), Mus musculus
UniProt: Q8K4Z6
Assay: Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulation after 1 hr by FRET assay
Measurement: IC50 = 21379.62 nM (pChEMBL 4.670000076293945)
Descriptors: MW 409.46, ALogP 2.95, HBA 4, HBD 1, PSA 65.64, QED 0.64
Compound (SMILES): COc1ccc(-c2[nH]c3ccccc3c2C(=O)CN(C)CC(=O)N2CCOCC2)cc1
InChIKey: LRHFIHBNRRLFSM-UHFFFAOYSA-N
Target: G-protein coupled receptor family C group 6 member A (SINGLE PROTEIN), Mus musculus
UniProt: Q8K4Z6
Assay: Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulation after 1 hr by FRET assay
Measurement: IC50 = 9332.54 nM (pChEMBL 5.03000020980835)
Descriptors: MW 421.5, ALogP 2.82, HBA 5, HBD 1, PSA 74.87, QED 0.59
Compound (SMILES): O=C(CN1CCCC(C(=O)N2CCOCC2)C1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIKey: FKKXSOZSQAQHFN-UHFFFAOYSA-N
Target: G-protein coupled receptor family C group 6 member A (SINGLE PROTEIN), Mus musculus
UniProt: Q8K4Z6
Assay: Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulation after 1 hr by FRET assay
Measurement: IC50 = 5495.41 nM (pChEMBL 5.260000228881836)
Descriptors: MW 431.54, ALogP 3.59, HBA 4, HBD 1, PSA 65.64, QED 0.63
Compound (SMILES): CN(CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)CC(=O)N1CCCC1
InChIKey: HDLUCMSIMDMSQH-UHFFFAOYSA-N
Target: G-protein coupled receptor family C group 6 member A (SINGLE PROTEIN), Mus musculus
UniProt: Q8K4Z6
Assay: Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulation after 1 hr by FRET assay
Measurement: IC50 = 57543.99 nM (pChEMBL 4.239999771118164)
Descriptors: MW 375.47, ALogP 3.57, HBA 3, HBD 1, PSA 56.41, QED 0.67
Compound (SMILES): CN(CCN1CCOCC1)CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIKey: BEQQTFBHBHMGEU-UHFFFAOYSA-N
Target: G-protein coupled receptor family C group 6 member A (SINGLE PROTEIN), Mus musculus
UniProt: Q8K4Z6
Assay: Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulation after 1 hr by FRET assay
Measurement: IC50 = 6165.95 nM (pChEMBL 5.210000038146973)
Descriptors: MW 377.49, ALogP 3.28, HBA 4, HBD 1, PSA 48.57, QED 0.64
Compound (SMILES): Cc1ccc(-c2cc(CNC(=O)NCC34CC5CC(CC(C5)C3)C4)no2)cc1
InChIKey: KJFKQORNLBYAFJ-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 15.4 nM (pChEMBL 7.809999942779541)
Descriptors: MW 379.5, ALogP 4.67, HBA 3, HBD 2, PSA 67.16, QED 0.79
Compound (SMILES): COc1ccc(-c2cc(CNC(=O)NCC34CC5CC(CC(C5)C3)C4)no2)cc1
InChIKey: QXGNURXKXGEXIH-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 12.9 nM (pChEMBL 7.889999866485596)
Descriptors: MW 395.5, ALogP 4.37, HBA 4, HBD 2, PSA 76.39, QED 0.76
Compound (SMILES): O=C(NCc1cc(-c2ccco2)on1)NCC12CC3CC(CC(C3)C1)C2
InChIKey: RFNSZVQQDQMILH-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 4.9 nM (pChEMBL 8.3100004196167)
Descriptors: MW 355.44, ALogP 3.95, HBA 4, HBD 2, PSA 80.3, QED 0.85
Compound (SMILES): Cc1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)on1
InChIKey: APGILQCNCDVVOG-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 6.7 nM (pChEMBL 8.170000076293945)
Descriptors: MW 303.41, ALogP 3, HBA 3, HBD 2, PSA 67.16, QED 0.9
Compound (SMILES): CCc1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)on1
InChIKey: UWCFISBOWFNQEB-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 29.4 nM (pChEMBL 7.53000020980835)
Descriptors: MW 317.43, ALogP 3.25, HBA 3, HBD 2, PSA 67.16, QED 0.88
Compound (SMILES): CC(C)c1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)on1
InChIKey: VPWFWJGPCXLMFT-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 44.6 nM (pChEMBL 7.349999904632568)
Descriptors: MW 331.46, ALogP 3.81, HBA 3, HBD 2, PSA 67.16, QED 0.86
Compound (SMILES): O=C(NCc1cc(-c2cccc(F)c2)no1)NCC12CC3CC(CC(C3)C1)C2
InChIKey: JMROSLIYMVGGNJ-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 16.6 nM (pChEMBL 7.78000020980835)
Descriptors: MW 383.47, ALogP 4.5, HBA 3, HBD 2, PSA 67.16, QED 0.8
Compound (SMILES): O=C(NCc1cc(-c2ccc(F)cc2)no1)NCC12CC3CC(CC(C3)C1)C2
InChIKey: OLZITKGDADQGSI-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 10.5 nM (pChEMBL 7.980000019073486)
Descriptors: MW 383.47, ALogP 4.5, HBA 3, HBD 2, PSA 67.16, QED 0.8
Compound (SMILES): CC(C)c1cc(CN(C)C(=O)NCC23CC4CC(CC(C4)C2)C3)no1
InChIKey: QBMTWKSUOQITJN-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 575.8 nM (pChEMBL 6.239999771118164)
Descriptors: MW 345.49, ALogP 4.16, HBA 3, HBD 1, PSA 58.37, QED 0.87
Compound (SMILES): Cc1cc(C2CCCN2C(=O)NCC23CC4CC(CC(C4)C2)C3)no1
InChIKey: DKGSDABKUOYVCB-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 524.3 nM (pChEMBL 6.28000020980835)
Descriptors: MW 343.47, ALogP 4.05, HBA 3, HBD 1, PSA 58.37, QED 0.9
Compound (SMILES): CC(C)c1cc(C2CCCN2C(=O)NCC23CC4CC(CC(C4)C2)C3)no1
InChIKey: JLTLUJLPOUMEAM-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 247.2 nM (pChEMBL 6.610000133514404)
Descriptors: MW 371.52, ALogP 4.86, HBA 3, HBD 1, PSA 58.37, QED 0.82
Compound (SMILES): CC(C)c1cc(CN(C)C(=O)NCC23CC4CC(CC(C4)C2)C3)on1
InChIKey: NNPMOYPTWNAXBR-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 190.6 nM (pChEMBL 6.71999979019165)
Descriptors: MW 345.49, ALogP 4.16, HBA 3, HBD 1, PSA 58.37, QED 0.87
Compound (SMILES): Cc1cc(C2CCCN2C(=O)NCC23CC4CC(CC(C4)C2)C3)on1
InChIKey: PPTIJBNTVPOIMA-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 91 nM (pChEMBL 7.039999961853027)
Descriptors: MW 343.47, ALogP 4.05, HBA 3, HBD 1, PSA 58.37, QED 0.9
Compound (SMILES): Cc1ccc(-c2cc(CNC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)no2)cc1
InChIKey: IJVRCHAGOPCHJE-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 25.8 nM (pChEMBL 7.590000152587891)
Descriptors: MW 393.53, ALogP 5.2, HBA 3, HBD 2, PSA 67.16, QED 0.75
Compound (SMILES): COc1ccc(-c2cc(CNC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)no2)cc1
InChIKey: XDRYHMMDAVDHBG-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 409.53, ALogP 4.9, HBA 4, HBD 2, PSA 76.39, QED 0.74
Compound (SMILES): CC12CC3CC(C)(C1)CC(NC(=O)NCc1cc(-c4ccco4)on1)(C3)C2
InChIKey: HLHCDHTYXJTYSC-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 4.1 nM (pChEMBL 8.390000343322754)
Descriptors: MW 369.47, ALogP 4.48, HBA 4, HBD 2, PSA 80.3, QED 0.83
Compound (SMILES): Cc1cc(CNC(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)on1
InChIKey: NTFIQMPGACDJFE-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 123 nM (pChEMBL 6.909999847412109)
Descriptors: MW 317.43, ALogP 3.53, HBA 3, HBD 2, PSA 67.16, QED 0.9
Compound (SMILES): CC12CC3CC(C)(C1)CC(NC(=O)NCc1cc(-c4cccc(F)c4)no1)(C3)C2
InChIKey: CVLZTENRROIXAR-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 397.49, ALogP 5.03, HBA 3, HBD 2, PSA 67.16, QED 0.76
Compound (SMILES): Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3)c12
InChIKey: GWXFTLKHWKDIOO-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 = 1.38 nM (pChEMBL 8.859999656677246)
Descriptors: MW 387.4, ALogP 4.18, HBA 5, HBD 4, PSA 114.29, QED 0.42
Compound (SMILES): Cc1ccnc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
InChIKey: MYWRXADZUXANHI-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 > 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 358.41, ALogP 4.16, HBA 4, HBD 4, PSA 108.72, QED 0.44
Compound (SMILES): CN(C)CCOc1ccc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)cc1F
InChIKey: KKOZAGNUIJXNRZ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 = 3.47 nM (pChEMBL 8.460000038146973)
Descriptors: MW 448.5, ALogP 4.54, HBA 5, HBD 4, PSA 108.3, QED 0.33
Compound (SMILES): CCn1cc(CN(Cc2ccc(-c3cc4nccc(Oc5ccc6oc(Nc7ccc(Cl)cc7)nc6c5)c4s3)nc2)C(C)C)nn1
InChIKey: LVCFAFVBQNHCKL-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR2 (unknown origin)
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 651.2, ALogP 8.71, HBA 11, HBD 1, PSA 107.02, QED 0.15
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3ccc4c(-c5cnn[nH]5)n[nH]c4c3)cc2)c1
InChIKey: UVZCZACZWWJXAZ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of His6-tagged KDR 789 to 1354 residues (unknown origin) using biotin-Ahx-AEEEYFFLA-amide substrate incubated for 60 mins by HTRF assay
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 409.45, ALogP 4.97, HBA 4, HBD 4, PSA 111.38, QED 0.34
Compound (SMILES): CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3-n3ccnn3)cc2)cc[n+]1[O-]
InChIKey: DSGIFPOYMGNIQG-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of GST-tagged human KDR expressed in Sf21 cells using 4:1 polyglutamic acid/tyrosine substrate incubated for 15 mins by scintillation counting method
Measurement: IC50 = 49 nM (pChEMBL 7.309999942779541)
Descriptors: MW 513.44, ALogP 3.72, HBA 7, HBD 3, PSA 137.11, QED 0.27
Compound (SMILES): CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3ccc(O)c(-c4cc[nH]c4)c3)nn2)c1
InChIKey: ZXGGCVUGFURVIA-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of GST-tagged human recombinant VEGFR2 kinase expressed in Sf9 insect cells by radiometric protein kinase assay
Measurement: IC50 = 40100 nM (pChEMBL 4.400000095367432)
Descriptors: MW 439.5, ALogP 3.51, HBA 8, HBD 3, PSA 122.13, QED 0.4
Compound (SMILES): CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3ccc(NC(N)=O)c(-c4cccc5ccccc45)c3)nn2)c1
InChIKey: FYRQMZXGASEEOK-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of GST-tagged human recombinant VEGFR2 kinase expressed in Sf9 insect cells by radiometric protein kinase assay
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 542.62, ALogP 5.12, HBA 8, HBD 3, PSA 141.23, QED 0.25
Compound (SMILES): CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3ccc(O)c(-c4ccccn4)c3)nn2)c1
InChIKey: SHHBLMHSEQZHHO-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of GST-tagged human recombinant VEGFR2 kinase expressed in Sf9 insect cells by radiometric protein kinase assay
Measurement: IC50 = 6960 nM (pChEMBL 5.159999847412109)
Descriptors: MW 451.51, ALogP 3.58, HBA 9, HBD 2, PSA 119.23, QED 0.44
Compound (SMILES): CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3cccc(-c4cccnc4)c3)nn2)c1
InChIKey: IMGLUBYKPCBYCS-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of GST-tagged human recombinant VEGFR2 kinase expressed in Sf9 insect cells by radiometric protein kinase assay
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 435.51, ALogP 3.88, HBA 8, HBD 1, PSA 99, QED 0.47
Compound (SMILES): CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3cccc(-c4ccccn4)c3)nn2)c1
InChIKey: UUTWVNZEPNZADQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of GST-tagged human recombinant VEGFR2 kinase expressed in Sf9 insect cells by radiometric protein kinase assay
Measurement: IC50 = 42000 nM (pChEMBL 4.380000114440918)
Descriptors: MW 435.51, ALogP 3.88, HBA 8, HBD 1, PSA 99, QED 0.47
Compound (SMILES): COc1cccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1
InChIKey: AQVIMQFROIMLTH-KBPBESRZSA-N
Target: Probable G-protein coupled receptor 139 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6DWJ6
Assay: Agonist activity at human GPR139 receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay
Measurement: EC50 = 66 nM (pChEMBL 7.179999828338623)
Descriptors: MW 326.4, ALogP 2.69, HBA 3, HBD 2, PSA 67.43, QED 0.86
Compound (SMILES): COc1cccc(C(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)c1
InChIKey: AQVIMQFROIMLTH-UONOGXRCSA-N
Target: Probable G-protein coupled receptor 139 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6DWJ6
Assay: Agonist activity at human GPR139 receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay
Measurement: EC50 = 440 nM (pChEMBL 6.360000133514404)
Descriptors: MW 326.4, ALogP 2.69, HBA 3, HBD 2, PSA 67.43, QED 0.86
Compound (SMILES): COc1cccc(C(=O)N[C@@H](CO)C(=O)N[C@@H](C)c2ccccc2)c1
InChIKey: IBTWDUFUXMFFOP-GUYCJALGSA-N
Target: Probable G-protein coupled receptor 139 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6DWJ6
Assay: Agonist activity at human GPR139 receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay
Measurement: EC50 = 283 nM (pChEMBL 6.550000190734863)
Descriptors: MW 342.4, ALogP 1.66, HBA 4, HBD 3, PSA 87.66, QED 0.71
Compound (SMILES): COc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccccc2)c1
InChIKey: RYHCOFZSOYKASU-MBSDFSHPSA-N
Target: Probable G-protein coupled receptor 139 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6DWJ6
Assay: Agonist activity at human GPR139 receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay
Measurement: EC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 402.49, ALogP 3.91, HBA 3, HBD 2, PSA 67.43, QED 0.6
Compound (SMILES): C[C@H](NC(=O)CNC(=O)c1ccccc1)c1ccccc1
InChIKey: NPQGQQXNUGFMBV-ZDUSSCGKSA-N
Target: Probable G-protein coupled receptor 139 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6DWJ6
Assay: Agonist activity at human GPR139 receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay
Measurement: EC50 = 162 nM (pChEMBL 6.789999961853027)
Descriptors: MW 282.34, ALogP 2.29, HBA 2, HBD 2, PSA 58.2, QED 0.88
Compound (SMILES): C[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccccc1
InChIKey: RTTSKAFIJXEJQL-LBPRGKRZSA-N
Target: Probable G-protein coupled receptor 139 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6DWJ6
Assay: Agonist activity at human GPR139 receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay
Measurement: EC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 316.79, ALogP 2.95, HBA 2, HBD 2, PSA 58.2, QED 0.89
Compound (SMILES): C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1
InChIKey: MWDVCHRYCKXEBY-LBPRGKRZSA-N
Target: Probable G-protein coupled receptor 139 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6DWJ6
Assay: Agonist activity at human GPR139 receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay
Measurement: EC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 316.79, ALogP 2.95, HBA 2, HBD 2, PSA 58.2, QED 0.89
Compound (SMILES): C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIKey: WTNCLLOKHJGKJW-LBPRGKRZSA-N
Target: Probable G-protein coupled receptor 139 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6DWJ6
Assay: Agonist activity at human GPR139 receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay
Measurement: EC50 = 118 nM (pChEMBL 6.929999828338623)
Descriptors: MW 316.79, ALogP 2.95, HBA 2, HBD 2, PSA 58.2, QED 0.89
Compound (SMILES): CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)OCCCCCCCCO)c(C)c1
InChIKey: XGWCFHCSJVYXQQ-DITALETJSA-N
Target: Vitamin D3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P11473
Assay: Agonist activity at human VDR expressed in HEK293 cells co-expressing CMX-GAL4N and TK-MH100x4-LUC assessed as induction of transcriptional activity by beta-galactosidase reporter gene assay
Measurement: EC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 588.83, ALogP 6.01, HBA 7, HBD 4, PSA 108.61, QED 0.13
Compound (SMILES): CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)OCCCCCCCCO)c(C)c1
InChIKey: XGWCFHCSJVYXQQ-BZKUTMRRSA-N
Target: Vitamin D3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P11473
Assay: Agonist activity at human VDR expressed in HEK293 cells co-expressing CMX-GAL4N and TK-MH100x4-LUC assessed as induction of transcriptional activity by beta-galactosidase reporter gene assay
Measurement: EC50 > 3000 nM (pChEMBL 5.5229997634887695)
Descriptors: MW 588.83, ALogP 6.01, HBA 7, HBD 4, PSA 108.61, QED 0.13
Compound (SMILES): COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1CC3N(C)CC2)OCO4
InChIKey: AJIMVLSQIMXLNV-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1B (SINGLE PROTEIN), Homo sapiens
UniProt: P28222
Assay: Displacement of [3H]-GR127543 from recombinant human 5-HT1B receptor after 1.5 hrs by Microbeta scintillation counting analysis
Measurement: Ki > 900 nM (pChEMBL 6.046000003814697)
Descriptors: MW 494.39, ALogP 5.52, HBA 5, HBD 0, PSA 40.16, QED 0.48
Compound (SMILES): COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCC(=O)NO
InChIKey: SZNSNTOFEHGZMW-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 476 nM (pChEMBL 6.320000171661377)
Descriptors: MW 388.81, ALogP 3.31, HBA 7, HBD 3, PSA 105.6, QED 0.42
Compound (SMILES): COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCC(=O)NO
InChIKey: XASPRINVUUODIB-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 352 nM (pChEMBL 6.449999809265137)
Descriptors: MW 402.84, ALogP 3.7, HBA 7, HBD 3, PSA 105.6, QED 0.3
Compound (SMILES): COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCCC(=O)NO
InChIKey: ZTLUHMBJQIQLKN-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 613 nM (pChEMBL 6.210000038146973)
Descriptors: MW 416.87, ALogP 4.09, HBA 7, HBD 3, PSA 105.6, QED 0.27
Compound (SMILES): COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCCCC(=O)NO
InChIKey: WZMJQIBTMYCAFR-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 501 nM (pChEMBL 6.300000190734863)
Descriptors: MW 430.89, ALogP 4.48, HBA 7, HBD 3, PSA 105.6, QED 0.25
Compound (SMILES): COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCC(=O)NO
InChIKey: AAFHYERZITZNLX-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 625 nM (pChEMBL 6.199999809265137)
Descriptors: MW 433.26, ALogP 3.42, HBA 7, HBD 3, PSA 105.6, QED 0.39
Compound (SMILES): COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCC(=O)NO
InChIKey: DPFOPXYMPSNKQV-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 434 nM (pChEMBL 6.360000133514404)
Descriptors: MW 447.29, ALogP 3.81, HBA 7, HBD 3, PSA 105.6, QED 0.27
Compound (SMILES): COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCCC(=O)NO
InChIKey: WPRAZCQPLOGPGP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 415 nM (pChEMBL 6.380000114440918)
Descriptors: MW 461.32, ALogP 4.2, HBA 7, HBD 3, PSA 105.6, QED 0.25
Compound (SMILES): COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCCCC(=O)NO
InChIKey: GAKFXYQZYLOGQM-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 462 nM (pChEMBL 6.329999923706055)
Descriptors: MW 475.34, ALogP 4.59, HBA 7, HBD 3, PSA 105.6, QED 0.22
Compound (SMILES): COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCC(=O)NO
InChIKey: RGSWFKLRZYAYCJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 423.26, ALogP 3.96, HBA 7, HBD 3, PSA 105.6, QED 0.39
Compound (SMILES): COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCC(=O)NO
InChIKey: JHGSRBBMHVPXES-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 138 nM (pChEMBL 6.860000133514404)
Descriptors: MW 437.28, ALogP 4.35, HBA 7, HBD 3, PSA 105.6, QED 0.27
Compound (SMILES): COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCC(=O)NO
InChIKey: CJONTKGJHSXWJP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 115 nM (pChEMBL 6.940000057220459)
Descriptors: MW 451.31, ALogP 4.74, HBA 7, HBD 3, PSA 105.6, QED 0.25
Compound (SMILES): COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCCC(=O)NO
InChIKey: HQVSMMXKDYANJJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 84 nM (pChEMBL 7.079999923706055)
Descriptors: MW 465.34, ALogP 5.13, HBA 7, HBD 3, PSA 105.6, QED 0.22
Compound (SMILES): COc1cc2ncnc(Nc3cc(Cl)ccc3Cl)c2cc1OCCC(=O)NO
InChIKey: QNYGEMYRAYFISD-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 1260 nM (pChEMBL 5.900000095367432)
Descriptors: MW 423.26, ALogP 3.96, HBA 7, HBD 3, PSA 105.6, QED 0.39
Compound (SMILES): COc1cc2ncnc(Nc3cc(Cl)ccc3Cl)c2cc1OCCCC(=O)NO
InChIKey: MTRBHEQVJAOTRA-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 2140 nM (pChEMBL 5.670000076293945)
Descriptors: MW 437.28, ALogP 4.35, HBA 7, HBD 3, PSA 105.6, QED 0.27
Compound (SMILES): COc1cc2ncnc(Nc3cc(Cl)ccc3Cl)c2cc1OCCCCC(=O)NO
InChIKey: CGRFJOJUDSHNKP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 5200 nM (pChEMBL 5.28000020980835)
Descriptors: MW 451.31, ALogP 4.74, HBA 7, HBD 3, PSA 105.6, QED 0.25
Compound (SMILES): COc1cc2ncnc(Nc3cc(Cl)ccc3Cl)c2cc1OCCCCCC(=O)NO
InChIKey: DPUQXSHZLLCPRZ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
Measurement: IC50 = 2450 nM (pChEMBL 5.610000133514404)
Descriptors: MW 465.34, ALogP 5.13, HBA 7, HBD 3, PSA 105.6, QED 0.22
Compound (SMILES): NC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c2c1
InChIKey: LRCDTAPSEBUEOO-UHFFFAOYSA-N
Target: Receptor tyrosine-protein kinase erbB-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P04626
Assay: Inhibition of HER2 (unknown origin) after 120 mins by HotSpot assay
Measurement: IC50 = 77 nM (pChEMBL 7.110000133514404)
Descriptors: MW 473.84, ALogP 6.33, HBA 5, HBD 3, PSA 102.16, QED 0.31
Compound (SMILES): NC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccc(Cl)c(Cl)c4)c(Cl)c3)c2c1
InChIKey: HTNWEOHOYGRLPU-UHFFFAOYSA-N
Target: Receptor tyrosine-protein kinase erbB-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P04626
Assay: Inhibition of HER2 (unknown origin) after 120 mins by HotSpot assay
Measurement: IC50 = 706 nM (pChEMBL 6.150000095367432)
Descriptors: MW 474.74, ALogP 6.62, HBA 5, HBD 3, PSA 102.16, QED 0.3
Compound (SMILES): NC(=S)NNC(=O)c1ccncc1
InChIKey: VXVGIABASNIWKS-UHFFFAOYSA-N
Target: Carbonic anhydrase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16790
Assay: Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
Measurement: Ki = 973 nM (pChEMBL 6.010000228881836)
Descriptors: MW 196.24, ALogP -0.44, HBA 3, HBD 3, PSA 80.04, QED 0.42
Compound (SMILES): O=C(NNC(=S)NCc1ccccc1)c1ccncc1
InChIKey: XFSPROBIMFEXRO-UHFFFAOYSA-N
Target: Carbonic anhydrase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16790
Assay: Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
Measurement: Ki = 964 nM (pChEMBL 6.019999980926514)
Descriptors: MW 286.36, ALogP 1.39, HBA 3, HBD 3, PSA 66.05, QED 0.59
Compound (SMILES): NC(=S)NNC(=O)c1ccccc1O
InChIKey: PYBNVGODXBNGMG-UHFFFAOYSA-N
Target: Carbonic anhydrase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16790
Assay: Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
Measurement: Ki = 1005 nM (pChEMBL 6)
Descriptors: MW 211.25, ALogP -0.13, HBA 3, HBD 4, PSA 87.38, QED 0.38
Compound (SMILES): CCNC(=S)NNC(=O)c1ccccc1O
InChIKey: FFUAMWJMASXKII-UHFFFAOYSA-N
Target: Carbonic anhydrase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16790
Assay: Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
Measurement: Ki = 878 nM (pChEMBL 6.059999942779541)
Descriptors: MW 239.3, ALogP 0.52, HBA 3, HBD 4, PSA 73.39, QED 0.45
Compound (SMILES): O=C(NNC(=S)Nc1ccccc1)c1ccccc1O
InChIKey: AZCYPCFHNBZJNB-UHFFFAOYSA-N
Target: D-alanine--D-alanine ligase (SINGLE PROTEIN), Enterococcus faecalis (strain ATCC 700802 / V583)
UniProt: Q47758
Assay: Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by substrate addition and measured after 20 mins by Biomol Green reagent assay
Measurement: IC50 = 800 nM (pChEMBL 6.099999904632568)
Descriptors: MW 287.34, ALogP 2.02, HBA 3, HBD 4, PSA 73.39, QED 0.5
Compound (SMILES): Cc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1
InChIKey: WZHVKTQLJNVVMJ-UHFFFAOYSA-N
Target: Carbonic anhydrase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16790
Assay: Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
Measurement: Ki = 1245 nM (pChEMBL 5.909999847412109)
Descriptors: MW 301.37, ALogP 2.33, HBA 3, HBD 4, PSA 73.39, QED 0.51
Compound (SMILES): O=C(NNC(=S)NCc1ccccc1)c1ccccc1O
InChIKey: WJGOKNAUGYSLHN-UHFFFAOYSA-N
Target: Carbonic anhydrase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16790
Assay: Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
Measurement: Ki = 980 nM (pChEMBL 6.010000228881836)
Descriptors: MW 301.37, ALogP 1.7, HBA 3, HBD 4, PSA 73.39, QED 0.51
Compound (SMILES): C=CCNC(=S)NNC(=O)c1ccccc1O
InChIKey: RKUJPWNBHAMFMG-UHFFFAOYSA-N
Target: Carbonic anhydrase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16790
Assay: Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
Measurement: Ki = 760 nM (pChEMBL 6.119999885559082)
Descriptors: MW 251.31, ALogP 0.69, HBA 3, HBD 4, PSA 73.39, QED 0.36
Compound (SMILES): COc1cc(F)ccc1-n1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2c(c1=O)SCC2
InChIKey: RIVSGEWCBGGFHU-UHFFFAOYSA-N
Target: Protein-serine O-palmitoleoyltransferase porcupine (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H237
Assay: Inhibition of porcupine activity (unknown origin) expressed in human HT1080 cells assessed as suppression of Wnt3A-mediated super top flash activity by STF luciferase assay
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 514.63, ALogP 4.68, HBA 9, HBD 1, PSA 86.11, QED 0.3
Compound (SMILES): C[C@@H](C(=O)Nc1ccc(-c2ccsc2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C
InChIKey: IXRIVTBXLYNJMB-LBPRGKRZSA-N
Target: Protein-serine O-palmitoleoyltransferase porcupine (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H237
Assay: Inhibition of porcupine in human HEK293 cells assessed as reduction in Wnt secretion by measuring suppression of beta-catenin reporter activity after 24 hrs by STF reporter assay
Measurement: IC50 = 0.5 nM (pChEMBL 9.300000190734863)
Descriptors: MW 409.47, ALogP 2.36, HBA 8, HBD 1, PSA 90.92, QED 0.56
Compound (SMILES): Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O
InChIKey: QTRXIFVSTWXRJJ-UHFFFAOYSA-N
Target: Protein-serine O-palmitoleoyltransferase porcupine (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H237
Assay: Inhibition of porcupine in human HEK293 cells assessed as reduction in Wnt secretion by measuring suppression of beta-catenin reporter activity after 24 hrs by STF reporter assay
Measurement: IC50 = 2.9 nM (pChEMBL 8.539999961853027)
Descriptors: MW 391.39, ALogP 0.53, HBA 9, HBD 1, PSA 116.7, QED 0.54
Compound (SMILES): C[C@H](C(=O)Nc1ccc(-c2ccsc2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C
InChIKey: IXRIVTBXLYNJMB-GFCCVEGCSA-N
Target: Protein-serine O-palmitoleoyltransferase porcupine (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H237
Assay: Inhibition of porcupine in human HEK293 cells assessed as reduction in Wnt secretion by measuring suppression of beta-catenin reporter activity after 24 hrs by STF reporter assay
Measurement: IC50 = 5400 nM (pChEMBL 5.269999980926514)
Descriptors: MW 409.47, ALogP 2.36, HBA 8, HBD 1, PSA 90.92, QED 0.56
Compound (SMILES): Cn1c(=O)c2c(nc3n2[C@H](CC(=O)Nc2ccc(-c4ccccc4)nn2)CC3)n(C)c1=O
InChIKey: ORFRGFFYCPFNGP-AWEZNQCLSA-N
Target: Protein-serine O-palmitoleoyltransferase porcupine (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H237
Assay: Inhibition of porcupine in human HEK293 cells by STF reporter assay
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 431.46, ALogP 1.41, HBA 9, HBD 1, PSA 116.7, QED 0.52
Compound (SMILES): O=C(NO)[C@H]1C[C@H](n2cc(-c3ccccc3)nn2)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIKey: ZQYRDNFYQHYIPA-SCLBCKFNSA-N
Target: Matrix metalloproteinase-9 (SINGLE PROTEIN), Homo sapiens
UniProt: P14780
Assay: Inhibition MMP-9 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 5 mins followed by substrate addition measured for 30 mins by fluorometric assay
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 482.35, ALogP 2.76, HBA 7, HBD 2, PSA 117.42, QED 0.43
Compound (SMILES): O=C(NO)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIKey: WIGAWQAOMBSMTI-VGOFRKELSA-N
Target: Matrix metalloproteinase-9 (SINGLE PROTEIN), Homo sapiens
UniProt: P14780
Assay: Inhibition MMP-9 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 5 mins followed by substrate addition measured for 30 mins by fluorometric assay
Measurement: IC50 = 590 nM (pChEMBL 6.230000019073486)
Descriptors: MW 570.48, ALogP 3.28, HBA 6, HBD 3, PSA 132.88, QED 0.3
Compound (SMILES): O=C(NO)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIKey: WIGAWQAOMBSMTI-HTAPYJJXSA-N
Target: 72 kDa type IV collagenase (SINGLE PROTEIN), Homo sapiens
UniProt: P08253
Assay: Inhibition MMP-2 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 5 mins followed by substrate addition measured for 30 mins by fluorometric assay
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 570.48, ALogP 3.28, HBA 6, HBD 3, PSA 132.88, QED 0.3
Compound (SMILES): CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CSSC[C@H](NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2)NC1=O
InChIKey: YCVIVKQQWUQCJZ-XQXVBSQHSA-N
Target: Neuronal acetylcholine receptor; alpha9/alpha10 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9GZZ6
Assay: Antagonist activity at human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -80 mV holding potential preincubated for 4 mins followed by Ach stimulation by two electrode voltage-clamp assay
Measurement: IC50 = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 2160.34
Compound (SMILES): CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2c(F)cccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCc2ccccc2)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC2=O)cc1
InChIKey: YWXAFZKUPXRWPL-LRRYLCFPSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 30 mins
Measurement: EC50 = 0.85 nM (pChEMBL 9.069999694824219)
Descriptors: MW 2286.44
Compound (SMILES): CCc1cc(OC)ccc1-c1ccc(C[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@](C)(Cc3c(F)cccc3F)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CO)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCc4ccccc4)NC2=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N3)cc1
InChIKey: OGFHQMRROBNOBH-LRRYLCFPSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 30 mins
Measurement: EC50 = 430 nM (pChEMBL 6.369999885559082)
Descriptors: MW 2268.42
Compound (SMILES): CCc1cc(OC)ccc1-c1ccc(C[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@](C)(Cc3c(F)cccc3F)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CO)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCc4ccccc4)NC2=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N3)cc1
InChIKey: XRKQDDJUELXFNA-ABDJUWPISA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 30 mins
Measurement: EC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 2256.41
Compound (SMILES): CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2c(F)cccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCc2ccccc2)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC2=O)cc1
InChIKey: JAIYYGHZJIRZIS-LRRYLCFPSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 30 mins
Measurement: EC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 2285.45
Compound (SMILES): CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCc2ccccc2)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC2=O)cc1
InChIKey: OAQNXORCSYSQNR-RSDGXGOOSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 30 mins
Measurement: EC50 = 1 nM (pChEMBL 9)
Descriptors: MW 2268.45
Compound (SMILES): CCc1cc(OC)ccc1-c1ccc(C[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@](C)(Cc3ccccc3F)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CO)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCc4ccccc4)NC2=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N3)cc1
InChIKey: VXUMQMQBPPFXDY-RSDGXGOOSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 30 mins
Measurement: EC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 2250.43
Compound (SMILES): CCc1cc(OC)ccc1-c1ccc(C[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@](C)(Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CO)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCc4ccccc4)NC2=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N3)cc1
InChIKey: BKEWPZDXWBXKRO-ZISMLRMDSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 30 mins
Measurement: EC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 2232.44