lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: GZORTMDPMZLEID-JHPUGHCGSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Displacement of [125I]-43RFa from human QRFP receptor expressed in CHO cells by TopCount scintillation counting method
Measurement: Ki = 2.04 nM (pChEMBL 8.6899995803833)
Descriptors: MW 2820.17
Compound (SMILES): C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: BBBBSCNUUGJHQH-IFUGPJDHSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 2910 nM (pChEMBL 5.539999961853027)
Descriptors: MW 1121.3
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIKey: LYORSCQZVOOECO-RFBWDRSOSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 43.2 nM (pChEMBL 7.369999885559082)
Descriptors: MW 2587.93
Compound (SMILES): N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: IZXBKKCBCNQZLO-GXTUYBNASA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 138 nM (pChEMBL 6.860000133514404)
Descriptors: MW 1478.73
Compound (SMILES): N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: KUVCXHIEKAURFX-UHLSBEBOSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 185 nM (pChEMBL 6.730000019073486)
Descriptors: MW 1535.78
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIKey: FHCLHDONUSUAEW-SMIKCYSDSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 30.2 nM (pChEMBL 7.519999980926514)
Descriptors: MW 2320.6
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: DMKDQJDMYCDTPK-ZNTUHGOWSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 37.5 nM (pChEMBL 7.429999828338623)
Descriptors: MW 2021.27
Compound (SMILES): N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: YXIBPCFXEKRZIM-HAQFKNNNSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 95.3 nM (pChEMBL 7.019999980926514)
Descriptors: MW 1649.88
Compound (SMILES): N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: MFEMNVDLQMNRSM-UILVTTEASA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 237 nM (pChEMBL 6.619999885559082)
Descriptors: MW 1315.55
Compound (SMILES): N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: QMMFUFPGYOFWRB-QVWIHFFISA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 282 nM (pChEMBL 6.550000190734863)
Descriptors: MW 1228.47
Compound (SMILES): N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: ONVXHHSYOAZVAC-FVMQRRFMSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 233 nM (pChEMBL 6.630000114440918)
Descriptors: MW 1072.28
Compound (SMILES): N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: KWKFNWHICGXYDC-DUGSHLAESA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 1710 nM (pChEMBL 5.769999980926514)
Descriptors: MW 944.11, ALogP -3.43, HBA 12, HBD 14, PSA 380.96, QED 0.02
Compound (SMILES): N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: PQRQSEBAGUHPRH-XDIGFQIYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Displacement of [125I]26RFa from human GPR103 expressed in HEK293 cells incubated for 1 h by gamma counter based method
Measurement: IC50 = 8730 nM (pChEMBL 5.059999942779541)
Descriptors: MW 815.93, ALogP -3.05, HBA 10, HBD 12, PSA 325.84, QED 0.02
Compound (SMILES): C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: IQZAMBIMRXYPCR-YXKTVTGNSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 3350 nM (pChEMBL 5.46999979019165)
Descriptors: MW 829.96, ALogP -2.66, HBA 10, HBD 12, PSA 325.84, QED 0.03
Compound (SMILES): C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: PEPMUIPPGLUDBS-YXKTVTGNSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 2985 nM (pChEMBL 5.53000020980835)
Descriptors: MW 829.96, ALogP -2.66, HBA 10, HBD 12, PSA 325.84, QED 0.03
Compound (SMILES): C[C@H](NC(=O)CNC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: HYVFXOIFBMUDNU-REVLRCOSSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 1333 nM (pChEMBL 5.880000114440918)
Descriptors: MW 739.83, ALogP -4.27, HBA 10, HBD 12, PSA 325.84, QED 0.03
Compound (SMILES): N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: PQRQSEBAGUHPRH-QEUNAIBPSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 4975 nM (pChEMBL 5.300000190734863)
Descriptors: MW 815.93, ALogP -3.05, HBA 10, HBD 12, PSA 325.84, QED 0.02
Compound (SMILES): CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(N(C)C)cc2)C(C)(C)CCC1
InChIKey: MILMRFNLYUZXPC-FSDIUQKZSA-N
Target: Retinol-binding protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P02753
Assay: Binding affinity to His-tagged recombinant human sRBP expressed in Escherichia coli BL21(DE3) assessed as apparent dissociation constant after 5 mins by fluorescence spectrophotometric analysis
Measurement: Kd = 98 nM (pChEMBL 7.010000228881836)
Descriptors: MW 418.63, ALogP 7.22, HBA 2, HBD 1, PSA 32.34, QED 0.37
Compound (SMILES): CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCOCC2)C(C)(C)CCC1
InChIKey: XHPKRVYZMVFULC-SFZCRTJJSA-N
Target: Retinol-binding protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P02753
Assay: Binding affinity to human recombinant His-MBP-tagged RBP4 (19 to 201 residues) expressed in Escherichia coli BL21(DE3)pLysS using biotin-aminohexanoic acid-CPSSHSSLTERHKILHRLLQEGSPS-CONH2 peptide as substrate assessed as dissociation constant preincubated for 30 mins followed by substrate addition measured for 1 hr by TR-FRET analysis
Measurement: Kd = 131 nM (pChEMBL 6.880000114440918)
Descriptors: MW 369.55, ALogP 5.38, HBA 2, HBD 0, PSA 29.54, QED 0.48
Compound (SMILES): CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(OCC(=O)O)cc2)C(C)(C)CCC1
InChIKey: BXVHJOFDVVBOJP-PPBWNBFDSA-N
Target: Retinol-binding protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P02753
Assay: Binding affinity to human recombinant His-MBP-tagged RBP4 (19 to 201 residues) expressed in Escherichia coli BL21(DE3)pLysS using biotin-aminohexanoic acid-CPSSHSSLTERHKILHRLLQEGSPS-CONH2 peptide as substrate assessed as dissociation constant preincubated for 30 mins followed by substrate addition measured for 1 hr by TR-FRET analysis
Measurement: Kd = 131 nM (pChEMBL 6.880000114440918)
Descriptors: MW 449.59, ALogP 6.62, HBA 3, HBD 2, PSA 75.63, QED 0.33
Compound (SMILES): Cc1ccccc1CN1C/C(=C\c2ccc(O)c(Br)c2)C(=O)/C(=C/c2ccc(O)c(Br)c2)C1
InChIKey: ACMXKKCTUDISBF-OIEABDAFSA-N
Target: Histone-arginine methyltransferase CARM1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86X55
Assay: Inhibition of CARM1-mediated methylation of PABP1 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine
Measurement: IC50 = 10300 nM (pChEMBL 4.989999771118164)
Descriptors: MW 569.29, ALogP 6.48, HBA 4, HBD 2, PSA 60.77, QED 0.35
Compound (SMILES): Cc1cccc(CN2C/C(=C\c3ccc(O)c(Br)c3)C(=O)/C(=C/c3ccc(O)c(Br)c3)C2)c1
InChIKey: XODYJJXIJIAEOD-OIEABDAFSA-N
Target: Histone-arginine methyltransferase CARM1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86X55
Assay: Inhibition of CARM1-mediated methylation of PABP1 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine
Measurement: IC50 = 15200 nM (pChEMBL 4.820000171661377)
Descriptors: MW 569.29, ALogP 6.48, HBA 4, HBD 2, PSA 60.77, QED 0.35
Compound (SMILES): Cc1ccc(CN2C/C(=C\c3ccc(O)c(Br)c3)C(=O)/C(=C/c3ccc(O)c(Br)c3)C2)cc1
InChIKey: DWKCVBQMENGKRS-OIEABDAFSA-N
Target: Histone-arginine methyltransferase CARM1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86X55
Assay: Inhibition of CARM1-mediated methylation of PABP1 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine
Measurement: IC50 = 11900 nM (pChEMBL 4.920000076293945)
Descriptors: MW 569.29, ALogP 6.48, HBA 4, HBD 2, PSA 60.77, QED 0.35
Compound (SMILES): O=C1/C(=C/c2ccc(O)c(Br)c2)CN(Cc2ccccc2Cl)C/C1=C\c1ccc(O)c(Br)c1
InChIKey: RGHMHTXERAQGNI-LQGKIZFRSA-N
Target: Histone-arginine methyltransferase CARM1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86X55
Assay: Inhibition of CARM1-mediated methylation of PABP1 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine
Measurement: IC50 = 12500 nM (pChEMBL 4.900000095367432)
Descriptors: MW 589.71, ALogP 6.83, HBA 4, HBD 2, PSA 60.77, QED 0.33
Compound (SMILES): O=C1/C(=C/c2ccc(O)c(Br)c2)CN(Cc2cccc(Cl)c2)C/C1=C\c1ccc(O)c(Br)c1
InChIKey: SGFUCORRJXWOBJ-PQEHHWQQSA-N
Target: Histone-arginine methyltransferase CARM1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86X55
Assay: Inhibition of CARM1-mediated methylation of PABP1 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine
Measurement: IC50 = 8100 nM (pChEMBL 5.090000152587891)
Descriptors: MW 589.71, ALogP 6.83, HBA 4, HBD 2, PSA 60.77, QED 0.33
Compound (SMILES): O=C1/C(=C/c2ccc(O)c(Br)c2)CN(Cc2ccc(Cl)cc2)C/C1=C\c1ccc(O)c(Br)c1
InChIKey: RADKNBVRRFNZJK-LQGKIZFRSA-N
Target: Histone-arginine methyltransferase CARM1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86X55
Assay: Inhibition of CARM1-mediated methylation of PABP1 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine
Measurement: IC50 = 12200 nM (pChEMBL 4.909999847412109)
Descriptors: MW 589.71, ALogP 6.83, HBA 4, HBD 2, PSA 60.77, QED 0.33
Compound (SMILES): O=C1/C(=C/c2ccc(O)c(Br)c2)CN(CCc2ccccc2)C/C1=C\c1ccc(O)c(Br)c1
InChIKey: INDVSFRGHHEXBZ-ADYPVIEZSA-N
Target: Histone-arginine methyltransferase CARM1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86X55
Assay: Inhibition of CARM1-mediated methylation of PABP1 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine
Measurement: IC50 = 14800 nM (pChEMBL 4.829999923706055)
Descriptors: MW 569.29, ALogP 6.22, HBA 4, HBD 2, PSA 60.77, QED 0.36
Compound (SMILES): O=C1/C(=C/c2ccc(O)c(Br)c2)CN(CCCc2ccccc2)C/C1=C\c1ccc(O)c(Br)c1
InChIKey: VOULIDYNIANYFR-MSKUYSOUSA-N
Target: Histone-arginine methyltransferase CARM1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86X55
Assay: Inhibition of CARM1-mediated methylation of PABP1 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine
Measurement: IC50 = 16000 nM (pChEMBL 4.800000190734863)
Descriptors: MW 583.32, ALogP 6.61, HBA 4, HBD 2, PSA 60.77, QED 0.32
Compound (SMILES): O=C1/C(=C/c2ccc(O)c(Br)c2)CN(CC(=O)c2ccccc2)C/C1=C\c1ccc(O)c(Br)c1
InChIKey: YMCNZNWYMGFVDY-CLVAPQHMSA-N
Target: Histone-arginine methyltransferase CARM1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86X55
Assay: Inhibition of CARM1-mediated methylation of PABP1 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine
Measurement: IC50 = 14400 nM (pChEMBL 4.840000152587891)
Descriptors: MW 583.28, ALogP 5.86, HBA 5, HBD 2, PSA 77.84, QED 0.29
Compound (SMILES): O=C(Nc1ccc(B(O)O)cc1)c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1
InChIKey: XAMLTKWGOQOZOL-BKUYFWCQSA-N
Target: Autotaxin (SINGLE PROTEIN), Homo sapiens
UniProt: Q13822
Assay: Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
Measurement: IC50 = 147 nM (pChEMBL 6.829999923706055)
Descriptors: MW 476.29
Compound (SMILES): O=C(NCc1ccc(B(O)O)cc1)c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1
InChIKey: JXQNZRGLKNWQQB-XKZIYDEJSA-N
Target: Autotaxin (SINGLE PROTEIN), Homo sapiens
UniProt: Q13822
Assay: Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
Measurement: IC50 = 71 nM (pChEMBL 7.150000095367432)
Descriptors: MW 490.32
Compound (SMILES): O=C(Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1)c1ccc(B(O)O)cc1
InChIKey: FCJCCVXLRLHWOD-BKUYFWCQSA-N
Target: Autotaxin (SINGLE PROTEIN), Homo sapiens
UniProt: Q13822
Assay: Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 476.29
Compound (SMILES): O=C1S/C(=C\c2ccc(NCc3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1
InChIKey: AIDZXEMDYPDCTD-XKZIYDEJSA-N
Target: Autotaxin (SINGLE PROTEIN), Homo sapiens
UniProt: Q13822
Assay: Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
Measurement: IC50 = 8.3 nM (pChEMBL 8.079999923706055)
Descriptors: MW 462.31
Compound (SMILES): O=C1S/C(=C\c2ccc(/C=C/c3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1
InChIKey: VGCXUZCCIRRGSB-QUHUWWOHSA-N
Target: Autotaxin (SINGLE PROTEIN), Homo sapiens
UniProt: Q13822
Assay: Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
Measurement: IC50 > 5000 nM (pChEMBL 5.301000118255615)
Descriptors: MW 459.31
Compound (SMILES): O=C1SC(Cc2ccc(OCc3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1
InChIKey: KLJGQHDPLGRYKK-UHFFFAOYSA-N
Target: Autotaxin (SINGLE PROTEIN), Homo sapiens
UniProt: Q13822
Assay: Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 465.31
Compound (SMILES): O=C1SC(Cc2ccc(OCc3ccc(B(O)O)cc3)cc2)C(O)N1Cc1ccc(F)cc1
InChIKey: MWFUPJUSLRPAFM-UHFFFAOYSA-N
Target: Autotaxin (SINGLE PROTEIN), Homo sapiens
UniProt: Q13822
Assay: Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
Measurement: IC50 = 1594 nM (pChEMBL 5.800000190734863)
Descriptors: MW 467.33
Compound (SMILES): O=c1sc(Cc2ccc(OCc3ccc(B(O)O)cc3)cc2)cn1Cc1ccc(F)cc1
InChIKey: SDADCKAQWPFYCP-UHFFFAOYSA-N
Target: Autotaxin (SINGLE PROTEIN), Homo sapiens
UniProt: Q13822
Assay: Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
Measurement: IC50 = 683 nM (pChEMBL 6.170000076293945)
Descriptors: MW 449.31
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(N1CCCCC1)N1CCCCC1
InChIKey: MWXCWDKSEXQLBA-JKIXPXDDSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 282 nM (pChEMBL 6.550000190734863)
Descriptors: MW 2998.45
Compound (SMILES): N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(N1CCCCC1)N1CCCCC1
InChIKey: WHKGVVCZCPJAER-FDXDWZSASA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 1198 nM (pChEMBL 5.920000076293945)
Descriptors: MW 982.2, ALogP -0.9, HBA 12, HBD 11, PSA 309.54, QED 0.03
Compound (SMILES): CCN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN
InChIKey: VUDVXJKYZGQRLZ-LSLOANPCSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 1088 nM (pChEMBL 5.960000038146973)
Descriptors: MW 934.11, ALogP -0.48, HBA 10, HBD 11, PSA 303.06, QED 0.02
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
InChIKey: GMOYPWQVVRLIHP-CENRIGGDSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 2922.3
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccccc1
InChIKey: SGBKYVPURRZUNH-JWXYZOMLSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 67 nM (pChEMBL 7.170000076293945)
Descriptors: MW 2775.13
Compound (SMILES): CC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: JFOXWXSWULUXCX-LJADHVKFSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
Measurement: EC50 = 1443 nM (pChEMBL 5.840000152587891)
Descriptors: MW 857.97, ALogP -2.87, HBA 10, HBD 12, PSA 328.92, QED 0.02
Compound (SMILES): Cn1nc2c3c(cccc31)C(=O)c1ccccc1-2
InChIKey: ODZGYELAMAOARP-UHFFFAOYSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 234.26, ALogP 2.78, HBA 3, HBD 0, PSA 34.89, QED 0.47
Compound (SMILES): O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C1CCC3O1
InChIKey: UUGQYFCRDPAFOP-UHFFFAOYSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 750 nM (pChEMBL 6.119999885559082)
Descriptors: MW 379.42, ALogP 4.97, HBA 4, HBD 1, PSA 48.19, QED 0.41
Compound (SMILES): O=C1Cc2ccc(Oc3ccc4c(c3)NC(=O)C4)cc2N1
InChIKey: LGJQFSLZOOSXTP-UHFFFAOYSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 14000 nM (pChEMBL 4.849999904632568)
Descriptors: MW 280.28, ALogP 2.47, HBA 3, HBD 2, PSA 67.43, QED 0.89
Compound (SMILES): CN1C(=O)NC(=O)/C(=C\c2c[nH]c3ccc(O)cc23)C1=O
InChIKey: PUXMBOXMRGPILZ-ONNFQVAWSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 285.26, ALogP 0.97, HBA 4, HBD 3, PSA 102.5, QED 0.54
Compound (SMILES): COc1ccc2c(c1)[nH]c1c(N3CCN(C(N)=O)CC3)ncnc12
InChIKey: UAWHUQSICLSVSY-UHFFFAOYSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 13000 nM (pChEMBL 4.889999866485596)
Descriptors: MW 326.36, ALogP 1.32, HBA 5, HBD 2, PSA 100.37, QED 0.74
Compound (SMILES): C=C1NNC(=O)/C1=N\Nc1ccc(S(N)(=O)=O)cc1
InChIKey: KSHCLQFURMFDBK-ZROIWOOFSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 281.3, ALogP -0.75, HBA 6, HBD 4, PSA 125.68, QED 0.54
Compound (SMILES): c1ccc(-c2[nH]c3ccccc3c2-c2ccnc(NCCN3CCOCC3)n2)cc1
InChIKey: HUTBIXFQVWPMKE-UHFFFAOYSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 399.5, ALogP 4.04, HBA 5, HBD 2, PSA 66.07, QED 0.51
Compound (SMILES): Cc1[nH]c2ccccc2c1-c1ccnc(NCCO)n1
InChIKey: QXBNZWFQOKPAKZ-UHFFFAOYSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 268.32, ALogP 2.34, HBA 4, HBD 3, PSA 73.83, QED 0.68
Compound (SMILES): OCCNc1nccc(-c2c[nH]c3ccccc23)n1
InChIKey: KDXIEQMFERTUAI-UHFFFAOYSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 254.29, ALogP 2.03, HBA 4, HBD 3, PSA 73.83, QED 0.67
Compound (SMILES): O=C1N/C(=C\c2ccc(OCc3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1
InChIKey: RVLOYNBRZDWWRF-XKZIYDEJSA-N
Target: Autotaxin (SINGLE PROTEIN), Homo sapiens
UniProt: Q13822
Assay: Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 446.24
Compound (SMILES): CN1C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(B(O)O)cc2)cc1
InChIKey: HKSLBTZOOODZEW-OEAKJJBVSA-N
Target: Autotaxin (SINGLE PROTEIN), Homo sapiens
UniProt: Q13822
Assay: Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
Measurement: IC50 = 5.3 nM (pChEMBL 8.279999732971191)
Descriptors: MW 460.27
Compound (SMILES): CN1C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(B(O)O)cc2)cc1
InChIKey: HKSLBTZOOODZEW-UCQKPKSFSA-N
Target: Autotaxin (SINGLE PROTEIN), Homo sapiens
UniProt: Q13822
Assay: Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
Measurement: IC50 = 6.7 nM (pChEMBL 8.170000076293945)
Descriptors: MW 460.27
Compound (SMILES): O=C1C/C(=C\c2ccc(OCc3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1
InChIKey: GXUCEGPEJNEJPP-DEDYPNTBSA-N
Target: Autotaxin (SINGLE PROTEIN), Homo sapiens
UniProt: Q13822
Assay: Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
Measurement: IC50 = 7.3 nM (pChEMBL 8.140000343322754)
Descriptors: MW 445.26
Compound (SMILES): O=C1[C@@H]2Cc3ccc(OCc4ccc(B(O)O)cc4)cc3CN2C(=O)N1Cc1ccc(F)cc1
InChIKey: PHSQCPKIXYAJIL-QHCPKHFHSA-N
Target: Autotaxin (SINGLE PROTEIN), Homo sapiens
UniProt: Q13822
Assay: Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
Measurement: IC50 = 55 nM (pChEMBL 7.260000228881836)
Descriptors: MW 460.27
Compound (SMILES): O=C1[C@H]2Cc3ccc(OCc4ccc(B(O)O)cc4)cc3CN2C(=O)N1Cc1ccc(F)cc1
InChIKey: PHSQCPKIXYAJIL-HSZRJFAPSA-N
Target: Autotaxin (SINGLE PROTEIN), Homo sapiens
UniProt: Q13822
Assay: Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
Measurement: IC50 = 59 nM (pChEMBL 7.230000019073486)
Descriptors: MW 460.27
Compound (SMILES): O=C(O)/C=C/c1cccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2cccc(/C=C/C(=O)O)c2)c1
InChIKey: AFHNXMQGGNTBDO-MKICQXMISA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of rhoA expressed in Escherichia coli BL21 after 1 hr by G-LISA activation based chemiluminescence assay
Measurement: IC50 = 3280 nM (pChEMBL 5.480000019073486)
Descriptors: MW 497.47, ALogP 5.22, HBA 8, HBD 4, PSA 167.58, QED 0.14
Compound (SMILES): O=C1C=C(Nc2cccc3cc(S(=O)(=O)O)ccc23)c2ccccc2C1=O
InChIKey: QEFNAZDFZWMBOW-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Binding affinity to rhoA by SPR assay
Measurement: Kd = 13100 nM (pChEMBL 4.880000114440918)
Descriptors: MW 379.39, ALogP 3.3, HBA 5, HBD 2, PSA 100.54, QED 0.53
Compound (SMILES): O=C(O)c1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1
InChIKey: QLINFGQSAXACLV-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Binding affinity to rhoA by SPR assay
Measurement: Kd = 4470 nM (pChEMBL 5.349999904632568)
Descriptors: MW 398.43, ALogP 4.8, HBA 7, HBD 4, PSA 112.06, QED 0.35
Compound (SMILES): O=C(O)/C=C/c1ccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2ccc(/C=C/C(=O)O)cc2)cc1
InChIKey: JLIDDQUGXUZISJ-ACFHMISVSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of rhoA expressed in Escherichia coli BL21 after 1 hr by G-LISA activation based chemiluminescence assay
Measurement: IC50 = 2580 nM (pChEMBL 5.590000152587891)
Descriptors: MW 497.47, ALogP 5.22, HBA 8, HBD 4, PSA 167.58, QED 0.14
Compound (SMILES): O=C(O)C1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC(C(=O)O)CC2)CC1
InChIKey: KKBSIBMOIYFEIL-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of rhoA expressed in Escherichia coli BL21 after 1 hr by G-LISA activation based chemiluminescence assay
Measurement: IC50 = 2090 nM (pChEMBL 5.679999828338623)
Descriptors: MW 429.43, ALogP 2.14, HBA 8, HBD 2, PSA 150, QED 0.53
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(N4CCCCC4)cc3c(=O)c2c1
InChIKey: BFGPCWYLULJFQP-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 383.47, ALogP 3.11, HBA 5, HBD 1, PSA 79.37, QED 0.75
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(N4CCOCC4)cc3c(=O)c2c1
InChIKey: NENQLFCGPDUKQZ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 385.45, ALogP 1.96, HBA 6, HBD 1, PSA 88.6, QED 0.74
Compound (SMILES): CCCCN(C)c1cnc2ccc3ccc(NS(C)(=O)=O)cc3c(=O)c2c1
InChIKey: DRDZYRKUFMNEGS-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 8000 nM (pChEMBL 5.099999904632568)
Descriptors: MW 385.49, ALogP 3.36, HBA 5, HBD 1, PSA 79.37, QED 0.7
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(NCC4CC4)cc3c(=O)c2c1
InChIKey: BUMUSMORDMSEBJ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 760 nM (pChEMBL 6.119999885559082)
Descriptors: MW 369.45, ALogP 2.94, HBA 5, HBD 2, PSA 88.16, QED 0.72
Compound (SMILES): CC(C)N1CCN(c2cnc3ccc4ccc(NS(C)(=O)=O)cc4c(=O)c3c2)CC1
InChIKey: SZYARCOFJFUANJ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 426.54, ALogP 2.65, HBA 6, HBD 1, PSA 82.61, QED 0.69
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(N4CCC5(CC4)OCCO5)cc3c(=O)c2c1
InChIKey: XPOKTAOPEQLJEW-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 790 nM (pChEMBL 6.099999904632568)
Descriptors: MW 441.51, ALogP 2.46, HBA 7, HBD 1, PSA 97.83, QED 0.67
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(N4CCN(c5cccnc5)CC4)cc3c(=O)c2c1
InChIKey: ONJZQISPOVLZPG-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 461.55, ALogP 2.84, HBA 7, HBD 1, PSA 95.5, QED 0.5
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccccc4Cl)cc3c(=O)c2c1
InChIKey: KYVJDVAPIXMYGC-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 9000 nM (pChEMBL 5.050000190734863)
Descriptors: MW 410.88, ALogP 4.44, HBA 4, HBD 1, PSA 76.13, QED 0.54
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(-c4cccc(Cl)c4)cc3c(=O)c2c1
InChIKey: FJSNRASJQBFPID-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 5300 nM (pChEMBL 5.28000020980835)
Descriptors: MW 410.88, ALogP 4.44, HBA 4, HBD 1, PSA 76.13, QED 0.54
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccc(Cl)cc4)cc3c(=O)c2c1
InChIKey: CNDPKYJPTYLDKN-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 5400 nM (pChEMBL 5.269999980926514)
Descriptors: MW 410.88, ALogP 4.44, HBA 4, HBD 1, PSA 76.13, QED 0.54
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccncc4)cc3c(=O)c2c1
InChIKey: MZDWDIHAUKHDJF-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 750 nM (pChEMBL 6.119999885559082)
Descriptors: MW 377.43, ALogP 3.18, HBA 5, HBD 1, PSA 89.02, QED 0.59
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(-c4cccnc4)cc3c(=O)c2c1
InChIKey: PXXBJZMFQIEIMN-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 377.43, ALogP 3.18, HBA 5, HBD 1, PSA 89.02, QED 0.59
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(-c4cncnc4)cc3c(=O)c2c1
InChIKey: CYJYBSZEEQSVBG-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 9000 nM (pChEMBL 5.050000190734863)
Descriptors: MW 378.41, ALogP 2.58, HBA 6, HBD 1, PSA 101.91, QED 0.59
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccoc4)cc3c(=O)c2c1
InChIKey: XRRQCPBNRJQAMX-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 5500 nM (pChEMBL 5.260000228881836)
Descriptors: MW 366.4, ALogP 3.38, HBA 5, HBD 1, PSA 89.27, QED 0.6
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccsc4)cc3c(=O)c2c1
InChIKey: SOMXERKTVVUGIZ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 382.47, ALogP 3.85, HBA 5, HBD 1, PSA 76.13, QED 0.58
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(-c4cnsc4)cc3c(=O)c2c1
InChIKey: VRPWUMAWKRKDCH-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 383.45, ALogP 3.24, HBA 6, HBD 1, PSA 89.02, QED 0.59
Compound (SMILES): CS(=O)(=O)Nc1ccc2ccc3ncc(-c4cn[nH]c4)cc3c(=O)c2c1
InChIKey: HIWCCVNCPXCPMR-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 366.4, ALogP 2.51, HBA 5, HBD 2, PSA 104.81, QED 0.58
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(NS(C)(=O)=O)cc4c(=O)c3c2)cn1
InChIKey: HPFFXKLJHGEJTO-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of Kv11.1 channel
Measurement: IC50 = 10100 nM (pChEMBL 5)
Descriptors: MW 380.43, ALogP 2.52, HBA 6, HBD 1, PSA 93.95, QED 0.59
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(N)cc4c(=O)c3c2)cn1
InChIKey: VFRNCFJILIALAR-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 302.34, ALogP 2.73, HBA 5, HBD 1, PSA 73.8, QED 0.55
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(N)c(Cl)c4c(=O)c3c2)cn1
InChIKey: WXMLJXVNLBXZLH-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 336.78, ALogP 3.38, HBA 5, HBD 1, PSA 73.8, QED 0.54
Compound (SMILES): CNc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1
InChIKey: BZSFQQJCDIUDJU-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 316.36, ALogP 3.19, HBA 5, HBD 1, PSA 59.81, QED 0.62
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(O)cc4c(=O)c3c2)cn1
InChIKey: TUWYKTGWOOZYIM-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 303.32, ALogP 2.85, HBA 5, HBD 1, PSA 68.01, QED 0.59
Compound (SMILES): Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(NCCN2CCOCC2)n1
InChIKey: MRNZRCFFJZCLOS-UHFFFAOYSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 371.87, ALogP 3.33, HBA 5, HBD 2, PSA 66.07, QED 0.72
Compound (SMILES): Cn1ncc2c(N3CCOCC3)nc(NCCc3c[nH]c4ccccc34)nc21
InChIKey: IQMMQBXFNFNXIC-UHFFFAOYSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 377.45, ALogP 2.34, HBA 7, HBD 2, PSA 83.89, QED 0.56
Compound (SMILES): Nc1nc(Nc2ccc(OC(F)(F)F)cc2)c2nc[nH]c2n1
InChIKey: JOVQZEWRPNCLSA-UHFFFAOYSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 20000 nM (pChEMBL 4.699999809265137)
Descriptors: MW 310.24, ALogP 2.58, HBA 6, HBD 3, PSA 101.74, QED 0.69
Compound (SMILES): C=C1NNC(=O)N=C1Nc1ccc2cn[nH]c2c1
InChIKey: FVHUOYBIHLPABI-UHFFFAOYSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 16000 nM (pChEMBL 4.800000190734863)
Descriptors: MW 242.24, ALogP 1.11, HBA 4, HBD 4, PSA 94.2, QED 0.6
Compound (SMILES): Oc1nncc(Nc2ccc3cn[nH]c3c2)n1
InChIKey: BWTONTRMGUMYCX-UHFFFAOYSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 13000 nM (pChEMBL 4.889999866485596)
Descriptors: MW 228.22, ALogP 1.2, HBA 6, HBD 3, PSA 99.61, QED 0.61
Compound (SMILES): FC(F)(F)c1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12
InChIKey: FZKFDCYCUKXFBX-UHFFFAOYSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 19000 nM (pChEMBL 4.71999979019165)
Descriptors: MW 346.32, ALogP 3.28, HBA 5, HBD 2, PSA 70.9, QED 0.59
Compound (SMILES): CSc1cccc(N/C=C2\C(=O)Nc3ccccc32)c1
InChIKey: KQUMSCLXYMDAOX-UVTDQMKNSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 282.37, ALogP 3.81, HBA 3, HBD 2, PSA 41.13, QED 0.66
Compound (SMILES): NCc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1
InChIKey: GNMXUYVFIVLAKI-UHFFFAOYSA-N
Target: Interferon-induced, double-stranded RNA-activated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P19525
Assay: Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
Measurement: IC50 = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 373.21, ALogP 1.99, HBA 4, HBD 3, PSA 96.58, QED 0.72