Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'manchee' and Initial = 'g'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM12569 (GTC000006A | N-(6-chloronaphthalen-2-yl)-N'-[(3S)-...) Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r| Show InChI InChI=1S/C25H30ClN3O6S/c1-3-21(30)16-29(36(33,34)22-7-5-18-14-20(26)6-4-19(18)15-22)23-8-9-28(25(23)32)17(2)24(31)27-10-12-35-13-11-27/h4-7,14-15,17,23H,3,8-13,16H2,1-2H3/t17-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12557 (6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12567 (2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...) Show SMILES C[C@H](N1CC[C@H](N(CC(O)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H26ClN3O7S/c1-15(22(30)25-8-10-34-11-9-25)26-7-6-20(23(26)31)27(14-21(28)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H,28,29)/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12558 (6-chloro-N-methyl-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(p...) Show SMILES C[C@H](N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C23H28ClN3O4S/c1-16(22(28)26-11-4-3-5-12-26)27-13-10-21(23(27)29)25(2)32(30,31)20-9-7-17-14-19(24)8-6-18(17)15-20/h6-9,14-16,21H,3-5,10-13H2,1-2H3/t16-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12561 (N-[(3S)-1-[(2S)-1-{2-azabicyclo[2.2.2]octan-2-yl}-...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CC2CCC1CC2 |r,wD:1.0,5.5,(24.17,-11.35,;25.5,-12.12,;26.84,-11.35,;26.95,-9.81,;28.44,-9.44,;29.26,-10.75,;30.79,-10.86,;31.46,-12.25,;30.13,-13.02,;31.86,-13.74,;33,-12.25,;33.71,-10.88,;35.25,-10.81,;36.08,-12.11,;37.62,-12.04,;38.45,-13.34,;39.99,-13.27,;37.74,-14.71,;36.2,-14.78,;35.37,-13.48,;33.83,-13.55,;28.26,-11.93,;28.63,-13.42,;25.5,-13.66,;26.84,-14.43,;24.17,-14.43,;22.84,-13.66,;21.5,-14.43,;21.5,-15.97,;22.84,-16.74,;24.17,-15.97,;22.43,-15.88,;22.37,-15.08,)| Show InChI InChI=1S/C24H28ClN3O4S/c1-15(23(29)28-14-16-2-7-20(28)8-3-16)27-11-10-22(24(27)30)26-33(31,32)21-9-5-17-12-19(25)6-4-18(17)13-21/h4-6,9,12-13,15-16,20,22,26H,2-3,7-8,10-11,14H2,1H3/t15-,16?,20?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12568 (2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...) Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H27ClN4O6S/c1-15(22(30)26-8-10-34-11-9-26)27-7-6-20(23(27)31)28(14-21(25)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H2,25,29)/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12538 (6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6	-46.9	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12566 (6-chloro-N-methyl-N-[(3S)-1-[(2S)-1-(morpholin-4-y...) Show SMILES C[C@H](N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H26ClN3O5S/c1-15(21(27)25-9-11-31-12-10-25)26-8-7-20(22(26)28)24(2)32(29,30)19-6-4-16-13-18(23)5-3-17(16)14-19/h3-6,13-15,20H,7-12H2,1-2H3/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	-45.7	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12562 (6-chloro-N-[(3S)-1-[(2S)-1-[(1R,5S)-3,7-diazabicyc...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1C[C@H]2CNC[C@H](C2)C1 |r| Show InChI InChI=1S/C24H29ClN4O4S/c1-15(23(30)28-13-16-8-17(14-28)12-26-11-16)29-7-6-22(24(29)31)27-34(32,33)21-5-3-18-9-20(25)4-2-19(18)10-21/h2-5,9-10,15-17,22,26-27H,6-8,11-14H2,1H3/t15-,16-,17+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	-45.0	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12574 (6-chloro-N-[(3R)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-...) Show SMILES C[C@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	-44.5	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12573 (6-chloro-N-[(3R)-2-oxo-1-[(2R)-1-oxo-1-(piperidin-...) Show SMILES C[C@@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	-42.2	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12560 (6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(pyrrolidin...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C21H24ClN3O4S/c1-14(20(26)24-9-2-3-10-24)25-11-8-19(21(25)27)23-30(28,29)18-7-5-15-12-17(22)6-4-16(15)13-18/h4-7,12-14,19,23H,2-3,8-11H2,1H3/t14-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50417543 (CHEMBL1632210) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NC(=O)c3ccccc3)c2)CC1 Show InChI InChI=1S/C29H30N4O/c1-22-13-14-26-27(30-22)11-6-12-28(26)33-19-17-32(18-20-33)16-15-23-7-5-10-25(21-23)31-29(34)24-8-3-2-4-9-24/h2-14,21H,15-20H2,1H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12571 (6-chloro-N-[(3R)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...) Show SMILES C[C@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	-41.5	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12554 (N-[(3S)-1-[2-(azepan-1-yl)-2-oxoethyl]-2-oxopyrrol...) Show SMILES CN([C@H]1CCN(CC(=O)N2CCCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r| Show InChI InChI=1S/C23H28ClN3O4S/c1-25(32(30,31)20-9-7-17-14-19(24)8-6-18(17)15-20)21-10-13-27(23(21)29)16-22(28)26-11-4-2-3-5-12-26/h6-9,14-15,21H,2-5,10-13,16H2,1H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	60	-41.2	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12556 (6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(piperidin-1-yl)...) Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCN(CC(=O)N2CCCCC2)C1=O |r| Show InChI InChI=1S/C21H24ClN3O4S/c22-17-6-4-16-13-18(7-5-15(16)12-17)30(28,29)23-19-8-11-25(21(19)27)14-20(26)24-9-2-1-3-10-24/h4-7,12-13,19,23H,1-3,8-11,14H2/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63	-41.1	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12555 (6-chloro-N-methyl-N-[(3S)-2-oxo-1-[2-oxo-2-(piperi...) Show SMILES CN([C@H]1CCN(CC(=O)N2CCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-24(31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19)20-9-12-26(22(20)28)15-21(27)25-10-3-2-4-11-25/h5-8,13-14,20H,2-4,9-12,15H2,1H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	72	-40.8	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12575 (6-chloro-N-[(3S)-2-oxo-1-[(2R)-1-oxo-1-(piperidin-...) Show SMILES C[C@@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	82	-40.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12570 (6-chloro-N-[(3R)-1-[(2R)-1-(morpholin-4-yl)-1-oxop...) Show SMILES C[C@@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	82	-40.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12572 (6-chloro-N-[(3S)-1-[(2R)-1-(morpholin-4-yl)-1-oxop...) Show SMILES C[C@@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	-38.8	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50417549 (CHEMBL1632223) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NC(=O)Nc3ccccc3)c2)CC1 Show InChI InChI=1S/C29H31N5O/c1-22-13-14-26-27(30-22)11-6-12-28(26)34-19-17-33(18-20-34)16-15-23-7-5-10-25(21-23)32-29(35)31-24-8-3-2-4-9-24/h2-14,21H,15-20H2,1H3,(H2,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50417544 (CHEMBL1632218) Show SMILES Cc1nc(cs1)C(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1 Show InChI InChI=1S/C27H29N5OS/c1-19-9-10-23-24(28-19)7-4-8-26(23)32-15-13-31(14-16-32)12-11-21-5-3-6-22(17-21)30-27(33)25-18-34-20(2)29-25/h3-10,17-18H,11-16H2,1-2H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12563 (6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(piperazin-...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCNCC1 |r| Show InChI InChI=1S/C21H25ClN4O4S/c1-14(20(27)25-10-7-23-8-11-25)26-9-6-19(21(26)28)24-31(29,30)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23-24H,6-11H2,1H3/t14-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	320	-37.1	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50417545 (CHEMBL1631535) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NS(C)(=O)=O)c2)CC1 Show InChI InChI=1S/C23H28N4O2S/c1-18-9-10-21-22(24-18)7-4-8-23(21)27-15-13-26(14-16-27)12-11-19-5-3-6-20(17-19)25-30(2,28)29/h3-10,17,25H,11-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50417546 (CHEMBL1632220) Show SMILES CCNC(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1 Show InChI InChI=1S/C25H31N5O/c1-3-26-25(31)28-21-7-4-6-20(18-21)12-13-29-14-16-30(17-15-29)24-9-5-8-23-22(24)11-10-19(2)27-23/h4-11,18H,3,12-17H2,1-2H3,(H2,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50417548 (CHEMBL1631542) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCOC2=O)CC1 Show InChI InChI=1S/C25H28N4O2/c1-19-8-9-22-23(26-19)6-3-7-24(22)28-14-12-27(13-15-28)11-10-20-4-2-5-21(18-20)29-16-17-31-25(29)30/h2-9,18H,10-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12564 (6-chloro-N-[(3S)-1-[(2S)-1-(4-methylpiperazin-1-yl...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C22H27ClN4O4S/c1-15(21(28)26-11-9-25(2)10-12-26)27-8-7-20(22(27)29)24-32(30,31)19-6-4-16-13-18(23)5-3-17(16)14-19/h3-6,13-15,20,24H,7-12H2,1-2H3/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.06E+3	-32.5	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50417547 (CHEMBL1632206) Show SMILES CC(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1 Show InChI InChI=1S/C24H28N4O/c1-18-9-10-22-23(25-18)7-4-8-24(22)28-15-13-27(14-16-28)12-11-20-5-3-6-21(17-20)26-19(2)29/h3-10,17H,11-16H2,1-2H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12559 (6-chloro-N-{1-[2-methyl-1-oxo-1-(piperidin-1-yl)pr...) Show SMILES CC(C)(N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 Show InChI InChI=1S/C23H28ClN3O4S/c1-23(2,22(29)26-11-4-3-5-12-26)27-13-10-20(21(27)28)25-32(30,31)19-9-7-16-14-18(24)8-6-17(16)15-19/h6-9,14-15,20,25H,3-5,10-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	-28.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50333015 (1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50333015 (1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using atorvastatin as probe				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50333015 (1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as probe				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50333015 (1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using nifedipine as probe				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50333015 (1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50333015 (1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50333015 (1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP219				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50333015 (1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50333015 (1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair