lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Cc2nn(CC(C)C)cc21
InChIKey: PISWYTCLVHPEEE-WPFOTENUSA-N
Target: Cathepsin D (SINGLE PROTEIN), Homo sapiens
UniProt: P07339
Assay: Inhibition of human cathepsin D using DAB-CYL-Glu-ArG-Nle-Phe-Leu-Ser-Phe-Pro-EDANS incubated for 20 mins prior to substrate addition measured after 20 mins by fluorimetric analysis
Measurement: Ki = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 426.61, ALogP 3.25, HBA 5, HBD 3, PSA 79.18, QED 0.58
Compound (SMILES): CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1CC(C)(C)Cc2nn(CC(C)C)cc21
InChIKey: PISWYTCLVHPEEE-WMTXJRDZSA-N
Target: Cathepsin D (SINGLE PROTEIN), Homo sapiens
UniProt: P07339
Assay: Inhibition of human cathepsin D using DAB-CYL-Glu-ArG-Nle-Phe-Leu-Ser-Phe-Pro-EDANS incubated for 20 mins prior to substrate addition measured after 20 mins by fluorimetric analysis
Measurement: Ki = 5000 nM (pChEMBL 5.300000190734863)
Descriptors: MW 426.61, ALogP 3.25, HBA 5, HBD 3, PSA 79.18, QED 0.58
Compound (SMILES): CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Cn2nc(CC(C)(C)C)cc21
InChIKey: YYAXFDUSWODWGA-WPFOTENUSA-N
Target: Cathepsin D (SINGLE PROTEIN), Homo sapiens
UniProt: P07339
Assay: Inhibition of human cathepsin D using DAB-CYL-Glu-ArG-Nle-Phe-Leu-Ser-Phe-Pro-EDANS incubated for 20 mins prior to substrate addition measured after 20 mins by fluorimetric analysis
Measurement: Ki = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 440.63, ALogP 3.64, HBA 5, HBD 3, PSA 79.18, QED 0.59
Compound (SMILES): CC(=O)N[C@@H](Cc1ccccc1)C(=O)CN[C@H]1CC(C)(C)Cc2nn(CC(C)C)cc21
InChIKey: WZKZELUAEMFHMD-VXKWHMMOSA-N
Target: Beta-secretase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P56817
Assay: Inhibition of BACE1 in human HEK cells expressing APP Swedish mutant assessed as reduction in amyloid beta40 level by ELISA
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 424.59, ALogP 3.46, HBA 5, HBD 2, PSA 76.02, QED 0.65
Compound (SMILES): CC(C)(C)c1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1
InChIKey: DGRXKDFFRATIOS-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 396.47, ALogP 4.24, HBA 7, HBD 0, PSA 82.29, QED 0.36
Compound (SMILES): O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(F)cc1
InChIKey: YNUFOGDPXFIWLJ-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 358.35, ALogP 3.08, HBA 7, HBD 0, PSA 82.29, QED 0.39
Compound (SMILES): O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIKey: GVACLVFDIXNKMD-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 473.53, ALogP 2.73, HBA 9, HBD 0, PSA 119.67, QED 0.29
Compound (SMILES): Cc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1C
InChIKey: ZBVDNXKCNOVTRW-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 368.41, ALogP 3.56, HBA 7, HBD 0, PSA 82.29, QED 0.39
Compound (SMILES): O=C(Oc1coc(CSc2ncccn2)cc1=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIKey: OHZCKIMXQCHDBC-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 419.8, ALogP 3.5, HBA 9, HBD 0, PSA 125.43, QED 0.19
Compound (SMILES): O=C(Oc1coc(CSc2ncccn2)cc1=O)c1cc([N+](=O)[O-])ccc1Cl
InChIKey: CVGXGMFNRHYEOK-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 = 60100 nM (pChEMBL 4.21999979019165)
Descriptors: MW 419.8, ALogP 3.5, HBA 9, HBD 0, PSA 125.43, QED 0.19
Compound (SMILES): Cc1c(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cccc1[N+](=O)[O-]
InChIKey: YKYQOPGVWFYDHT-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 72200 nM (pChEMBL 4.139999866485596)
Descriptors: MW 399.38, ALogP 3.16, HBA 9, HBD 0, PSA 125.43, QED 0.2
Compound (SMILES): O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(-c2ccccc2)cc1
InChIKey: KDWWUDFITPYSKR-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 416.46, ALogP 4.61, HBA 7, HBD 0, PSA 82.29, QED 0.26
Compound (SMILES): CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1
InChIKey: RPQJKEAUBOUYRC-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 475.55, ALogP 2.97, HBA 9, HBD 0, PSA 119.67, QED 0.26
Compound (SMILES): O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIKey: GCLVKADURYAHTP-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 487.56, ALogP 3.12, HBA 9, HBD 0, PSA 119.67, QED 0.28
Compound (SMILES): O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIKey: IRUXECKCTXXIAQ-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 489.53, ALogP 1.96, HBA 10, HBD 0, PSA 128.9, QED 0.28
Compound (SMILES): COc1cc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)c([N+](=O)[O-])cc1OC
InChIKey: BJZYCHKZQGDNSB-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 445.41, ALogP 2.87, HBA 11, HBD 0, PSA 143.89, QED 0.17
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)co2)n1
InChIKey: FMDSBLVNALNUMA-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 4700 nM (pChEMBL 5.329999923706055)
Descriptors: MW 413.41, ALogP 3.47, HBA 9, HBD 0, PSA 125.43, QED 0.2
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3)co2)n1
InChIKey: IPLKFZWQKYAKAU-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 59200 nM (pChEMBL 4.230000019073486)
Descriptors: MW 399.38, ALogP 3.16, HBA 9, HBD 0, PSA 125.43, QED 0.2
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)cc3)co2)n1
InChIKey: OQGZHUFXDMTGPI-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 388.83, ALogP 3.9, HBA 7, HBD 0, PSA 82.29, QED 0.37
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc([N+](=O)[O-])cc3)co2)n1
InChIKey: UMKSGEWGYQSSMF-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 3110 nM (pChEMBL 5.510000228881836)
Descriptors: MW 399.38, ALogP 3.16, HBA 9, HBD 0, PSA 125.43, QED 0.2
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(C#N)cc3)co2)n1
InChIKey: DMHSYFVBDUAXLD-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 8510 nM (pChEMBL 5.070000171661377)
Descriptors: MW 379.4, ALogP 3.12, HBA 8, HBD 0, PSA 106.08, QED 0.38
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(C(F)(F)F)cc3)co2)n1
InChIKey: KWYOZUCWUZONFN-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 20600 nM (pChEMBL 4.690000057220459)
Descriptors: MW 422.38, ALogP 4.27, HBA 7, HBD 0, PSA 82.29, QED 0.35
Compound (SMILES): Cc1ccc(C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)cc1
InChIKey: HUEHDGRMUXYTPD-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 368.41, ALogP 3.56, HBA 7, HBD 0, PSA 82.29, QED 0.39
Compound (SMILES): COc1ccc(C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)cc1
InChIKey: DJVWNJGZKGYOTJ-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 384.41, ALogP 3.26, HBA 8, HBD 0, PSA 91.52, QED 0.36
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(F)cc3)co2)n1
InChIKey: JEWTWBDJGAJPAB-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 372.38, ALogP 3.39, HBA 7, HBD 0, PSA 82.29, QED 0.39
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cc(Cl)ccc3[N+](=O)[O-])co2)n1
InChIKey: XPUJVJFPFVTSBO-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 58800 nM (pChEMBL 4.230000019073486)
Descriptors: MW 433.83, ALogP 3.81, HBA 9, HBD 0, PSA 125.43, QED 0.19
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccccc3Cl)co2)n1
InChIKey: JTSZWZYKKWYLHY-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 388.83, ALogP 3.9, HBA 7, HBD 0, PSA 82.29, QED 0.37
Compound (SMILES): COc1cccc(C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)c1
InChIKey: JKPQNHYPZSOIBD-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 384.41, ALogP 3.26, HBA 8, HBD 0, PSA 91.52, QED 0.36
Compound (SMILES): Cc1cccc(C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)c1
InChIKey: KXTWUCNBJLDRHW-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 368.41, ALogP 3.56, HBA 7, HBD 0, PSA 82.29, QED 0.39
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(Cl)c3)co2)n1
InChIKey: RSJUVUUXFGNOHH-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 388.83, ALogP 3.9, HBA 7, HBD 0, PSA 82.29, QED 0.37
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccccc3C)co2)n1
InChIKey: QZKVNXXOESXTSG-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 368.41, ALogP 3.56, HBA 7, HBD 0, PSA 82.29, QED 0.39
Compound (SMILES): N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)[C@H](O)CO)CC3)cc2C2=CCCCC2)n1
InChIKey: USCISWISWCWWPX-JOCHJYFZSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 463.54, ALogP 2.55, HBA 6, HBD 4, PSA 142.34, QED 0.52
Compound (SMILES): N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)CNCCO)CC3)cc2C2=CCCCC2)n1
InChIKey: UFIPENMOPMVCOL-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 0.83 nM (pChEMBL 9.079999923706055)
Descriptors: MW 476.58, ALogP 2.78, HBA 6, HBD 4, PSA 134.14, QED 0.43
Compound (SMILES): CN(CCO)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1
InChIKey: JJZWAMOLUCACLS-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 490.61, ALogP 3.12, HBA 6, HBD 3, PSA 125.35, QED 0.52
Compound (SMILES): CS(=O)(=O)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1
InChIKey: AOPYRPVBZZQJMJ-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 495.61, ALogP 3.24, HBA 6, HBD 2, PSA 136.02, QED 0.63
Compound (SMILES): N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)c4ccc[n+]([O-])c4)CC3)cc2C2=CCCCC2)n1
InChIKey: ZKTXNDLMIQBAIK-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 1.4 nM (pChEMBL 8.850000381469727)
Descriptors: MW 496.57, ALogP 4.14, HBA 5, HBD 2, PSA 128.82, QED 0.41
Compound (SMILES): N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)c4cc[n+]([O-])cc4)CC3)cc2C2=CCCCC2)n1
InChIKey: AADUJBXZMSDOOW-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 496.57, ALogP 4.14, HBA 5, HBD 2, PSA 128.82, QED 0.41
Compound (SMILES): N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)Cc4c[nH]cn4)CC3)cc2C2=CCCCC2)n1
InChIKey: ZDZWIYNKACEWQC-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 1.1 nM (pChEMBL 8.960000038146973)
Descriptors: MW 483.58, ALogP 4.16, HBA 5, HBD 3, PSA 130.56, QED 0.48
Compound (SMILES): Cn1cnc(CC(=O)N2CCC(c3ccc(NC(=O)c4nc(C#N)c[nH]4)c(C4=CCCCC4)c3)CC2)c1
InChIKey: YVQZJJDQRBMAQM-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 1.6 nM (pChEMBL 8.800000190734863)
Descriptors: MW 497.6, ALogP 4.17, HBA 6, HBD 2, PSA 119.7, QED 0.53
Compound (SMILES): N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)Cc4ccccn4)CC3)cc2C2=CCCCC2)n1
InChIKey: BJMQKWRHLJKHOC-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 494.6, ALogP 4.83, HBA 5, HBD 2, PSA 114.77, QED 0.51
Compound (SMILES): N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)Cc4cccnc4)CC3)cc2C2=CCCCC2)n1
InChIKey: SLAJWIKQRQPMOS-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 1.7 nM (pChEMBL 8.770000457763672)
Descriptors: MW 494.6, ALogP 4.83, HBA 5, HBD 2, PSA 114.77, QED 0.51
Compound (SMILES): N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)Cc4ccncc4)CC3)cc2C2=CCCCC2)n1
InChIKey: ZSVFWIDDNJEWEB-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 494.6, ALogP 4.83, HBA 5, HBD 2, PSA 114.77, QED 0.51
Compound (SMILES): N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)CCN4CCOCC4)CC3)cc2C2=CCCCC2)n1
InChIKey: KMNMIWIJQSLPMT-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 1.7 nM (pChEMBL 8.770000457763672)
Descriptors: MW 516.65, ALogP 3.92, HBA 6, HBD 2, PSA 114.35, QED 0.58
Compound (SMILES): N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)CN4CCOCC4)CC3)cc2C2=CCCCC2)n1
InChIKey: YEEBLJFZYXYIOQ-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 3.8 nM (pChEMBL 8.420000076293945)
Descriptors: MW 502.62, ALogP 3.53, HBA 6, HBD 2, PSA 114.35, QED 0.62
Compound (SMILES): CC(C)(N)CC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1
InChIKey: DEPRXLRJLFPMSV-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 0.62 nM (pChEMBL 9.210000038146973)
Descriptors: MW 474.61, ALogP 4.32, HBA 5, HBD 3, PSA 127.9, QED 0.57
Compound (SMILES): CC(C)(N)C(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1
InChIKey: GTTVVDKDTQATHF-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 460.58, ALogP 3.93, HBA 5, HBD 3, PSA 127.9, QED 0.62
Compound (SMILES): N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)NCCO)CC3)cc2C2=CCCCC2)n1
InChIKey: SWPGDCRPXQMSIA-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 462.55, ALogP 3.37, HBA 5, HBD 4, PSA 134.14, QED 0.52
Compound (SMILES): N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(N)=O)CC3)cc2C2=CCCCC2)n1
InChIKey: MNQDGSQOILXNDX-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
Measurement: IC50 = 3.3 nM (pChEMBL 8.479999542236328)
Descriptors: MW 418.5, ALogP 3.75, HBA 4, HBD 3, PSA 127.9, QED 0.7
Compound (SMILES): COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(OC(=O)C45CC6CC(CC(C6)C4)C5)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2
InChIKey: SROGOWNMLSQNBQ-ZLWBCAQCSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32301
Assay: Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation of cAMP levels incubated for 6 hrs by multiple response element/cAMP response element (MRE/CRE)-driven reporter gene assay
Measurement: EC50 = 2149 nM (pChEMBL 5.670000076293945)
Descriptors: MW 1181.35
Compound (SMILES): COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(OC(=O)c4ccco4)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)ccc1OC(=O)c1ccco1
InChIKey: CMXZOCYBPDSSRW-NHONBVHKSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32301
Assay: Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation of cAMP levels incubated for 6 hrs by multiple response element/cAMP response element (MRE/CRE)-driven reporter gene assay
Measurement: EC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 1045.02
Compound (SMILES): COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(OC(=O)c4ccc(C)s4)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)ccc1OC(=O)c1ccc(C)s1
InChIKey: YRYQHOUDYAAXOD-FVWVOGBMSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32301
Assay: Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation of cAMP levels incubated for 6 hrs by multiple response element/cAMP response element (MRE/CRE)-driven reporter gene assay
Measurement: EC50 = 19055 nM (pChEMBL 4.71999979019165)
Descriptors: MW 1105.21
Compound (SMILES): COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(OC(=O)C4CCCCC4)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)ccc1OC(=O)C1CCCCC1
InChIKey: VUVSVBSYRWISSK-QRQFRSKWSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32301
Assay: Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation of cAMP levels incubated for 6 hrs by multiple response element/cAMP response element (MRE/CRE)-driven reporter gene assay
Measurement: EC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 1077.19
Compound (SMILES): COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)C(C)C)cc3)(C(=O)O)[C@@H](c3ccc(OC(=O)C4CCC4)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)C(C)C)cc2)C(=O)O)ccc1OC(=O)C1CCC1
InChIKey: NTIQRZKBJXSYTG-OKSULDPSSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32301
Assay: Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation of cAMP levels incubated for 6 hrs by multiple response element/cAMP response element (MRE/CRE)-driven reporter gene assay
Measurement: EC50 = 15820 nM (pChEMBL 4.800000190734863)
Descriptors: MW 961.03, ALogP 6.69, HBA 12, HBD 6, PSA 262.06, QED 0.04
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(OC(F)(F)F)cc3)co2)n1
InChIKey: DWTZTHUDSGESGU-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 438.38, ALogP 4.15, HBA 8, HBD 0, PSA 91.52, QED 0.32
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(C#N)c3)co2)n1
InChIKey: XCBTUXQEOIUZQC-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 379.4, ALogP 3.12, HBA 8, HBD 0, PSA 106.08, QED 0.38
Compound (SMILES): O=c1cc(CSc2ccccc2)occ1O
InChIKey: HOVLWGFSEOFXSR-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 234.28, ALogP 2.64, HBA 4, HBD 1, PSA 50.44, QED 0.83
Compound (SMILES): O=c1cc(CSc2ccc(F)cc2)occ1O
InChIKey: AJMZFXUDUORRMI-UHFFFAOYSA-N
Target: D-amino-acid oxidase (SINGLE PROTEIN), Homo sapiens
UniProt: P14920
Assay: Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric analysis
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 252.27, ALogP 2.78, HBA 4, HBD 1, PSA 50.44, QED 0.85
Compound (SMILES): O=c1cc(CSc2ncccn2)occ1O
InChIKey: RIGMECGKVLFSIH-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 236.25, ALogP 1.43, HBA 6, HBD 1, PSA 76.22, QED 0.64
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(O)co2)n1
InChIKey: SJVAUDRACVUKKW-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 250.28, ALogP 1.74, HBA 6, HBD 1, PSA 76.22, QED 0.66
Compound (SMILES): Cc1cc(C)nc(SCc2cc(=O)c(O)co2)n1
InChIKey: IUIIGWGRBUSMCR-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 264.31, ALogP 2.04, HBA 6, HBD 1, PSA 76.22, QED 0.68
Compound (SMILES): COc1ccc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)co2)cc1
InChIKey: RNFPCXMYWPXGJU-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 8270 nM (pChEMBL 5.079999923706055)
Descriptors: MW 447.85, ALogP 4.72, HBA 8, HBD 0, PSA 108.88, QED 0.22
Compound (SMILES): O=C(Oc1coc(CSc2ccc(OC(F)(F)F)cc2)cc1=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIKey: JFPVLLOAGVVRKH-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 24000 nM (pChEMBL 4.619999885559082)
Descriptors: MW 501.82, ALogP 5.61, HBA 8, HBD 0, PSA 108.88, QED 0.18
Compound (SMILES): O=C(Oc1coc(CSc2ccc(Cl)cc2)cc1=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIKey: IAEQENPWBYQOJA-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 4530 nM (pChEMBL 5.340000152587891)
Descriptors: MW 452.27, ALogP 5.37, HBA 7, HBD 0, PSA 99.65, QED 0.21
Compound (SMILES): Cc1ccc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)co2)cc1
InChIKey: WQENELGYPMNPMO-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 12800 nM (pChEMBL 4.889999866485596)
Descriptors: MW 431.85, ALogP 5.02, HBA 7, HBD 0, PSA 99.65, QED 0.23
Compound (SMILES): O=C(Oc1coc(CSc2ccccc2)cc1=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIKey: MCLMHKJKORVGTP-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 9610 nM (pChEMBL 5.019999980926514)
Descriptors: MW 417.83, ALogP 4.71, HBA 7, HBD 0, PSA 99.65, QED 0.25
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OCc3ccccc3)co2)n1
InChIKey: HOYLRFRDUCXCIF-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 340.4, ALogP 3.61, HBA 6, HBD 0, PSA 65.22, QED 0.5
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OCc3ccc(Cl)c([N+](=O)[O-])c3)co2)n1
InChIKey: KADZGNUFQSBIHM-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 419.85, ALogP 4.17, HBA 8, HBD 0, PSA 108.36, QED 0.24
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)C(C)(C)C)co2)n1
InChIKey: YCAILNUBUQEBFC-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 334.4, ALogP 2.98, HBA 7, HBD 0, PSA 82.29, QED 0.48
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)C(C)C)co2)n1
InChIKey: YBHYSXBLLCPPAW-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 320.37, ALogP 2.59, HBA 7, HBD 0, PSA 82.29, QED 0.48
Compound (SMILES): CC(=O)Oc1coc(CSc2nccc(C)n2)cc1=O
InChIKey: RGCQEGPWMROZLF-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 292.32, ALogP 1.96, HBA 7, HBD 0, PSA 82.29, QED 0.48
Compound (SMILES): Cc1cc(C)nc(SCc2cc(=O)c(OS(=O)(=O)c3ccccc3)co2)n1
InChIKey: BAQOXYVLSPRIFX-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 404.47, ALogP 3.11, HBA 8, HBD 0, PSA 99.36, QED 0.35
Compound (SMILES): Cc1cc(C)nc(SCc2cc(=O)c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)co2)n1
InChIKey: FLZDAHOTPDAHJF-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 449.47, ALogP 3.01, HBA 10, HBD 0, PSA 142.5, QED 0.17
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(NC(=O)c3ccccc3)co2)n1
InChIKey: XGNQOORWHSAYSD-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 353.4, ALogP 3.28, HBA 6, HBD 1, PSA 85.09, QED 0.56
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(NC(=O)c3ccc([N+](=O)[O-])cc3)co2)n1
InChIKey: DLWMOBFAFNGQSC-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 398.4, ALogP 3.19, HBA 8, HBD 1, PSA 128.23, QED 0.29
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccsc3)co2)n1
InChIKey: MAQKMKOOSQNASF-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 360.42, ALogP 3.31, HBA 8, HBD 0, PSA 82.29, QED 0.39
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc([N+](=O)[O-])o3)co2)n1
InChIKey: WCBHRNBEFFINST-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 389.35, ALogP 2.75, HBA 10, HBD 0, PSA 138.57, QED 0.2
Compound (SMILES): Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cnco3)co2)n1
InChIKey: ACOHLBJMHFMESU-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 345.34, ALogP 2.24, HBA 9, HBD 0, PSA 108.32, QED 0.39
Compound (SMILES): Cc1ccnc(S(=O)(=O)Cc2cc(=O)c(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)co2)n1
InChIKey: DFOSJWCBIGVTNN-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 3210 nM (pChEMBL 5.489999771118164)
Descriptors: MW 465.83, ALogP 2.49, HBA 10, HBD 0, PSA 159.57, QED 0.23
Compound (SMILES): O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccccc1
InChIKey: VVIRDCICRLSIRB-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 340.36, ALogP 2.94, HBA 7, HBD 0, PSA 82.29, QED 0.4
Compound (SMILES): O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIKey: GWGIXWHWNOECCZ-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 6200 nM (pChEMBL 5.210000038146973)
Descriptors: MW 419.8, ALogP 3.5, HBA 9, HBD 0, PSA 125.43, QED 0.19
Compound (SMILES): Cc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1[N+](=O)[O-]
InChIKey: ADBWXKRHRFJRHX-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 7250 nM (pChEMBL 5.139999866485596)
Descriptors: MW 399.38, ALogP 3.16, HBA 9, HBD 0, PSA 125.43, QED 0.2
Compound (SMILES): O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(Cl)cc1
InChIKey: WPIFMQRIMCZIGY-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 54500 nM (pChEMBL 4.260000228881836)
Descriptors: MW 374.81, ALogP 3.59, HBA 7, HBD 0, PSA 82.29, QED 0.38
Compound (SMILES): O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc([N+](=O)[O-])cc1
InChIKey: UASIRTUMPRQVFY-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 1750 nM (pChEMBL 5.760000228881836)
Descriptors: MW 385.36, ALogP 2.85, HBA 9, HBD 0, PSA 125.43, QED 0.21
Compound (SMILES): N#Cc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1
InChIKey: OYKOAVOVSIXRCI-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 6590 nM (pChEMBL 5.179999828338623)
Descriptors: MW 365.37, ALogP 2.81, HBA 8, HBD 0, PSA 106.08, QED 0.39
Compound (SMILES): O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(C(F)(F)F)cc1
InChIKey: KFSRJVDTWFNXLH-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 29000 nM (pChEMBL 4.539999961853027)
Descriptors: MW 408.36, ALogP 3.96, HBA 7, HBD 0, PSA 82.29, QED 0.36
Compound (SMILES): O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(Br)cc1
InChIKey: OOHUMMYCLSHXAL-UHFFFAOYSA-N
Target: Apelin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35414
Assay: Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
Measurement: IC50 = 18200 nM (pChEMBL 4.739999771118164)
Descriptors: MW 419.26, ALogP 3.7, HBA 7, HBD 0, PSA 82.29, QED 0.35
Compound (SMILES): Cc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1
InChIKey: GBMCYVOEHJIJTI-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 354.39, ALogP 3.25, HBA 7, HBD 0, PSA 82.29, QED 0.4
Compound (SMILES): COc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1
InChIKey: JGVYCKRYIBJFPK-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 370.39, ALogP 2.95, HBA 8, HBD 0, PSA 91.52, QED 0.37
Compound (SMILES): CCOc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1
InChIKey: OVGWDLMJFJAXEP-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 384.41, ALogP 3.34, HBA 8, HBD 0, PSA 91.52, QED 0.35
Compound (SMILES): CC(C)Oc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1
InChIKey: QNJJOIFIMOKAKY-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 398.44, ALogP 3.73, HBA 8, HBD 0, PSA 91.52, QED 0.34
Compound (SMILES): CCCCOc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1
InChIKey: BUGHHCRBEJONTG-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Inhibition of AT1 receptor
Measurement: IC50 > 79000 nM (pChEMBL 4.1020002365112305)
Descriptors: MW 412.47, ALogP 4.12, HBA 8, HBD 0, PSA 91.52, QED 0.22
Compound (SMILES): Cc1c(Cl)cccc1NC(=O)C(C)Oc1cc(=O)oc2ccccc12
InChIKey: GROHBJLESHZNGC-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chromogenic assay
Measurement: IC50 = 4610 nM (pChEMBL 5.340000152587891)
Descriptors: MW 357.79, ALogP 4.16, HBA 4, HBD 1, PSA 68.54, QED 0.71
Compound (SMILES): CC(Oc1cc(=O)oc2ccccc12)C(=O)NCc1ccccc1
InChIKey: IDAUGRYGLSYGLK-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35354
Assay: Inhibition of human recombinant COX2 expressed in insect cells using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chromogenic assay
Measurement: IC50 = 13190 nM (pChEMBL 4.880000114440918)
Descriptors: MW 323.35, ALogP 2.88, HBA 4, HBD 1, PSA 68.54, QED 0.73
Compound (SMILES): CC(Oc1cc(=O)oc2ccccc12)C(=O)Nc1ccc(F)cc1F
InChIKey: IGGOZXYNJDWESU-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chromogenic assay
Measurement: IC50 = 1640 nM (pChEMBL 5.789999961853027)
Descriptors: MW 345.3, ALogP 3.48, HBA 4, HBD 1, PSA 68.54, QED 0.74
Compound (SMILES): COc1ccc(NC(=O)C(C)Oc2cc(=O)oc3ccccc23)cc1
InChIKey: ASSTVEILTHMGDM-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chromogenic assay
Measurement: IC50 = 2260 nM (pChEMBL 5.650000095367432)
Descriptors: MW 339.35, ALogP 3.21, HBA 5, HBD 1, PSA 77.77, QED 0.72
Compound (SMILES): CC(Oc1cc(=O)oc2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1C#N
InChIKey: LLKOJVHAJZHGDJ-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chromogenic assay
Measurement: IC50 = 9600 nM (pChEMBL 5.019999980926514)
Descriptors: MW 402.33, ALogP 4.09, HBA 5, HBD 1, PSA 92.33, QED 0.66
Compound (SMILES): CC(Oc1cc(=O)oc2ccccc12)C(=O)N1CCCC1
InChIKey: QHBKNDJFHHJRNA-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chromogenic assay
Measurement: IC50 = 13730 nM (pChEMBL 4.860000133514404)
Descriptors: MW 287.32, ALogP 2.18, HBA 4, HBD 0, PSA 59.75, QED 0.81
Compound (SMILES): CC(Oc1cc(=O)oc2ccccc12)C(=O)N1CCOCC1
InChIKey: QQUHEKDMKBLNRF-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chromogenic assay
Measurement: IC50 = 5030 nM (pChEMBL 5.300000190734863)
Descriptors: MW 303.31, ALogP 1.42, HBA 5, HBD 0, PSA 68.98, QED 0.8
Compound (SMILES): COC(=O)C(CC(C)C)NC(=O)C(C)Oc1cc(=O)oc2ccccc12
InChIKey: ZZQUGEBYEPDCHR-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35354
Assay: Inhibition of human recombinant COX2 expressed in insect cells using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chromogenic assay
Measurement: IC50 = 8250 nM (pChEMBL 5.079999923706055)
Descriptors: MW 361.39, ALogP 2.26, HBA 6, HBD 1, PSA 94.84, QED 0.6
Compound (SMILES): CC(Oc1cc(=O)oc2ccccc12)C(=O)Nc1cccc2c(=O)[nH]ccc12
InChIKey: SIQKIHDMMSXZHB-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chromogenic assay
Measurement: IC50 = 2980 nM (pChEMBL 5.53000020980835)
Descriptors: MW 376.37, ALogP 3.04, HBA 5, HBD 2, PSA 101.4, QED 0.53
Compound (SMILES): CC(Oc1cc(=O)oc2ccccc12)C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIKey: VLLRZHJEDOOFDB-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chromogenic assay
Measurement: IC50 = 4600 nM (pChEMBL 5.340000152587891)
Descriptors: MW 408.41, ALogP 2.56, HBA 6, HBD 1, PSA 98.08, QED 0.65
Compound (SMILES): CC(Oc1cc(=O)oc2ccccc12)C(=O)Nc1ccncc1
InChIKey: POZKCHPKBAHXQZ-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chromogenic assay
Measurement: IC50 = 9640 nM (pChEMBL 5.019999980926514)
Descriptors: MW 310.31, ALogP 2.59, HBA 5, HBD 1, PSA 81.43, QED 0.75
Compound (SMILES): CC(Oc1cc(=O)oc2ccccc12)C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
InChIKey: FPELOZBZQOVRQQ-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chromogenic assay
Measurement: IC50 = 3330 nM (pChEMBL 5.480000019073486)
Descriptors: MW 395.5, ALogP 4.43, HBA 4, HBD 1, PSA 68.54, QED 0.78
Compound (SMILES): O=c1cc(N2CCOCC2)nc(NCc2ccccc2)[nH]1
InChIKey: JXYKWEADBAYJFZ-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42338
Assay: Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen assay
Measurement: IC50 = 1900 nM (pChEMBL 5.71999979019165)
Descriptors: MW 286.34, ALogP 1.22, HBA 5, HBD 2, PSA 70.25, QED 0.88
Compound (SMILES): COc1cccc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3cccc(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)c1
InChIKey: WPNXWMRQUQBZSP-OIBIMAEHSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32301
Assay: Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation of cAMP levels incubated for 6 hrs by multiple response element/cAMP response element (MRE/CRE)-driven reporter gene assay
Measurement: EC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 824.88, ALogP 6.79, HBA 10, HBD 6, PSA 227.92, QED 0.09
Compound (SMILES): CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@]2(C(=O)O)[C@H](c3ccccc3)[C@@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H]2c2ccccc2)cc1
InChIKey: RPSBKYFCKWNEMW-UNVJIKSCSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32301
Assay: Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation of cAMP levels incubated for 6 hrs by multiple response element/cAMP response element (MRE/CRE)-driven reporter gene assay
Measurement: EC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 764.83, ALogP 6.77, HBA 8, HBD 6, PSA 209.46, QED 0.1
Compound (SMILES): COc1ccc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(OC)cc3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)cc1
InChIKey: GYOCKRBBNBLXTF-OIBIMAEHSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32301
Assay: Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation of cAMP levels incubated for 6 hrs by multiple response element/cAMP response element (MRE/CRE)-driven reporter gene assay
Measurement: EC50 = 9404 nM (pChEMBL 5.03000020980835)
Descriptors: MW 824.88, ALogP 6.79, HBA 10, HBD 6, PSA 227.92, QED 0.09
Compound (SMILES): CCCOc1ccc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(OCCC)cc3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)cc1
InChIKey: JVUHGAZCPZCAAA-WSURUOAESA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32301
Assay: Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation of cAMP levels incubated for 6 hrs by multiple response element/cAMP response element (MRE/CRE)-driven reporter gene assay
Measurement: EC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 880.99, ALogP 8.35, HBA 10, HBD 6, PSA 227.92, QED 0.06
Compound (SMILES): CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@]2(C(=O)O)[C@H](c3cccc(OCc4ccccc4)c3)[C@@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H]2c2cccc(OCc3ccccc3)c2)cc1
InChIKey: YOYJTRVXRXKLDQ-SFYCTGIHSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32301
Assay: Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation of cAMP levels incubated for 6 hrs by multiple response element/cAMP response element (MRE/CRE)-driven reporter gene assay
Measurement: EC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 977.08, ALogP 9.93, HBA 10, HBD 6, PSA 227.92, QED 0.05
Compound (SMILES): COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(OCc4ccccc4)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)ccc1OCc1ccccc1
InChIKey: MJBWIJGOLCLGNM-UYLASBEKSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32301
Assay: Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation of cAMP levels incubated for 6 hrs by multiple response element/cAMP response element (MRE/CRE)-driven reporter gene assay
Measurement: EC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 1037.13