Compile Data Set for Download or QSAR

Found 376 hits with Last Name = 'houghton' and Initial = 'gc'   

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))	BDBM12776 (2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1 Show InChI InChI=1S/C30H27N5O3S/c31-29(32)21-12-15-27-24(17-21)26(18-34-27)25(16-19-6-2-1-3-7-19)30(36)35-22-13-10-20(11-14-22)23-8-4-5-9-28(23)39(33,37)38/h1-15,17-18,25,34H,16H2,(H3,31,32)(H,35,36)(H2,33,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.630	-52.0	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12778 ((2R)-N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl...) Show SMILES NC(=N)c1ccc2[nH]cc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 |r| Show InChI InChI=1S/C31H25FN6O/c32-25-16-21(38-18-36-28-8-4-5-9-29(28)38)11-13-27(25)37-31(39)23(14-19-6-2-1-3-7-19)24-17-35-26-12-10-20(30(33)34)15-22(24)26/h1-13,15-18,23,35H,14H2,(H3,33,34)(H,37,39)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	-50.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12786 (3-(2-{[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3cccc(c3)C(O)=O)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C32H25FN6O3/c33-25-15-21(39-17-37-28-6-1-2-7-29(28)39)9-11-27(25)38-31(40)23(13-18-4-3-5-20(12-18)32(41)42)24-16-36-26-10-8-19(30(34)35)14-22(24)26/h1-12,14-17,23,36H,13H2,(H3,34,35)(H,38,40)(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	-49.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12781 (5-amidinoindole 15 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES CC(C)(C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)c1c[nH]c2ccc(cc12)C(N)=N Show InChI InChI=1S/C26H24N6O/c1-26(2,20-14-29-21-12-7-16(24(27)28)13-19(20)21)25(33)31-17-8-10-18(11-9-17)32-15-30-22-5-3-4-6-23(22)32/h3-15,29H,1-2H3,(H3,27,28)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20	-48.9	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12777 (5-amidinoindole 13a | N-[4-(1H-1,3-benzodiazol-1-y...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C31H25FN6O/c32-25-16-21(38-18-36-28-8-4-5-9-29(28)38)11-13-27(25)37-31(39)23(14-19-6-2-1-3-7-19)24-17-35-26-12-10-20(30(33)34)15-22(24)26/h1-13,15-18,23,35H,14H2,(H3,33,34)(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	-48.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12782 (5-amidinoindole 16 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES CCC(C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)c1c[nH]c2ccc(cc12)C(N)=N Show InChI InChI=1S/C26H24N6O/c1-2-19(21-14-29-22-12-7-16(25(27)28)13-20(21)22)26(33)31-17-8-10-18(11-9-17)32-15-30-23-5-3-4-6-24(23)32/h3-15,19,29H,2H2,1H3,(H3,27,28)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80	-48.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12780 (5-amidinoindole 14 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES CC(C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)c1c[nH]c2ccc(cc12)C(N)=N Show InChI InChI=1S/C25H22N6O/c1-15(20-13-28-21-11-6-16(24(26)27)12-19(20)21)25(32)30-17-7-9-18(10-8-17)31-14-29-22-4-2-3-5-23(22)31/h2-15,28H,1H3,(H3,26,27)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-48.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12775 (2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-(2-sulfamoy...) Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1 Show InChI InChI=1S/C23H21N5O3S/c24-23(25)15-7-10-20-19(11-15)16(13-27-20)12-22(29)28-17-8-5-14(6-9-17)18-3-1-2-4-21(18)32(26,30)31/h1-11,13,27H,12H2,(H3,24,25)(H,28,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	-48.0	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12787 (3-(4-aminophenyl)-N-[4-(1H-1,3-benzodiazol-1-yl)ph...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccc(N)cc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C31H27N7O/c32-21-8-5-19(6-9-21)15-25(26-17-35-27-14-7-20(30(33)34)16-24(26)27)31(39)37-22-10-12-23(13-11-22)38-18-36-28-3-1-2-4-29(28)38/h1-14,16-18,25,35H,15,32H2,(H3,33,34)(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	-47.5	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12791 (6-amidinoindole 25 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2ccn(C(Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C31H25FN6O/c32-24-18-23(38-19-35-26-8-4-5-9-27(26)38)12-13-25(24)36-31(39)29(16-20-6-2-1-3-7-20)37-15-14-21-10-11-22(30(33)34)17-28(21)37/h1-15,17-19,29H,16H2,(H3,33,34)(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	-46.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12784 (5-amidinoindole 18 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2[nH]cc(C(CCc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C32H27FN6O/c33-26-17-22(39-19-37-29-8-4-5-9-30(29)39)12-15-28(26)38-32(40)23(13-10-20-6-2-1-3-7-20)25-18-36-27-14-11-21(31(34)35)16-24(25)27/h1-9,11-12,14-19,23,36H,10,13H2,(H3,34,35)(H,38,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10	-46.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12788 (5-amidinoindole 22 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3cccnc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C30H25N7O/c31-29(32)20-7-12-26-23(15-20)25(17-34-26)24(14-19-4-3-13-33-16-19)30(38)36-21-8-10-22(11-9-21)37-18-35-27-5-1-2-6-28(27)37/h1-13,15-18,24,34H,14H2,(H3,31,32)(H,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	-46.1	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12783 (5-amidinoindole 17 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2[nH]cc(C(CC3CC3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C28H26N6O/c29-27(30)18-7-12-24-21(14-18)23(15-31-24)22(13-17-5-6-17)28(35)33-19-8-10-20(11-9-19)34-16-32-25-3-1-2-4-26(25)34/h1-4,7-12,14-17,22,31H,5-6,13H2,(H3,29,30)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	-44.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12789 (5-amidinoindole 23 | N-[4-(2-{[4-(1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccc(NC(=O)c4ccccc4)cc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C38H31N7O2/c39-36(40)26-12-19-33-30(21-26)32(22-41-33)31(20-24-10-13-27(14-11-24)43-37(46)25-6-2-1-3-7-25)38(47)44-28-15-17-29(18-16-28)45-23-42-34-8-4-5-9-35(34)45/h1-19,21-23,31,41H,20H2,(H3,39,40)(H,43,46)(H,44,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	-43.8	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12790 (3-(4-benzenesulfonamidophenyl)-N-[4-(1H-1,3-benzod...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccc(NS(=O)(=O)c4ccccc4)cc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C37H31N7O3S/c38-36(39)25-12-19-33-30(21-25)32(22-40-33)31(20-24-10-13-27(14-11-24)43-48(46,47)29-6-2-1-3-7-29)37(45)42-26-15-17-28(18-16-26)44-23-41-34-8-4-5-9-35(34)44/h1-19,21-23,31,40,43H,20H2,(H3,38,39)(H,42,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	-43.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12778 ((2R)-N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl...) Show SMILES NC(=N)c1ccc2[nH]cc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 |r| Show InChI InChI=1S/C31H25FN6O/c32-25-16-21(38-18-36-28-8-4-5-9-29(28)38)11-13-27(25)37-31(39)23(14-19-6-2-1-3-7-19)24-17-35-26-12-10-20(30(33)34)15-22(24)26/h1-13,15-18,23,35H,14H2,(H3,33,34)(H,37,39)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12779 ((2S)-N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl...) Show SMILES NC(=N)c1ccc2[nH]cc([C@H](Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 |r| Show InChI InChI=1S/C31H25FN6O/c32-25-16-21(38-18-36-28-8-4-5-9-29(28)38)11-13-27(25)37-31(39)23(14-19-6-2-1-3-7-19)24-17-35-26-12-10-20(30(33)34)15-22(24)26/h1-13,15-18,23,35H,14H2,(H3,33,34)(H,37,39)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	-42.9	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12785 (5-amidinoindole 19 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccc4ccccc4c3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C35H27FN6O/c36-29-18-25(42-20-40-32-7-3-4-8-33(32)42)12-14-31(29)41-35(43)27(16-21-9-10-22-5-1-2-6-23(22)15-21)28-19-39-30-13-11-24(34(37)38)17-26(28)30/h1-15,17-20,27,39H,16H2,(H3,37,38)(H,41,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	-42.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12794 (5-amidinoindole 28 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2[nH]cc(C(CC(=O)Nc3ccc(cc3)-n3cnc4ccccc34)Cc3ccccc3)c2c1 Show InChI InChI=1S/C32H28N6O/c33-32(34)22-10-15-28-26(17-22)27(19-35-28)23(16-21-6-2-1-3-7-21)18-31(39)37-24-11-13-25(14-12-24)38-20-36-29-8-4-5-9-30(29)38/h1-15,17,19-20,23,35H,16,18H2,(H3,33,34)(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	-42.1	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12793 (5-amidinoindole 27 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2[nH]cc(CC(Cc3ccccc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C32H28N6O/c33-31(34)22-10-15-28-27(18-22)24(19-35-28)17-23(16-21-6-2-1-3-7-21)32(39)37-25-11-13-26(14-12-25)38-20-36-29-8-4-5-9-30(29)38/h1-15,18-20,23,35H,16-17H2,(H3,33,34)(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	45	-41.5	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12786 (3-(2-{[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3cccc(c3)C(O)=O)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C32H25FN6O3/c33-25-15-21(39-17-37-28-6-1-2-7-29(28)39)9-11-27(25)38-31(40)23(13-18-4-3-5-20(12-18)32(41)42)24-16-36-26-10-8-19(30(34)35)14-22(24)26/h1-12,14-17,23,36H,13H2,(H3,34,35)(H,38,40)(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12777 (5-amidinoindole 13a | N-[4-(1H-1,3-benzodiazol-1-y...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C31H25FN6O/c32-25-16-21(38-18-36-28-8-4-5-9-29(28)38)11-13-27(25)37-31(39)23(14-19-6-2-1-3-7-19)24-17-35-26-12-10-20(30(33)34)15-22(24)26/h1-13,15-18,23,35H,14H2,(H3,33,34)(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12795 (5-amidinoindole 29 | N-{[4-(1H-1,3-benzodiazol-1-y...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C32H28N6O/c33-31(34)23-12-15-28-25(17-23)27(19-35-28)26(16-21-6-2-1-3-7-21)32(39)36-18-22-10-13-24(14-11-22)38-20-37-29-8-4-5-9-30(29)38/h1-15,17,19-20,26,35H,16,18H2,(H3,33,34)(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	72	-40.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12787 (3-(4-aminophenyl)-N-[4-(1H-1,3-benzodiazol-1-yl)ph...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccc(N)cc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C31H27N7O/c32-21-8-5-19(6-9-21)15-25(26-17-35-27-14-7-20(30(33)34)16-24(26)27)31(39)37-22-10-12-23(13-11-22)38-18-36-28-3-1-2-4-29(28)38/h1-14,16-18,25,35H,15,32H2,(H3,33,34)(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12798 (2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3)-n3cnc(c3)-c3ccccc3)c2c1 Show InChI InChI=1S/C33H28N6O/c34-32(35)24-11-16-30-27(18-24)29(19-36-30)28(17-22-7-3-1-4-8-22)33(40)38-25-12-14-26(15-13-25)39-20-31(37-21-39)23-9-5-2-6-10-23/h1-16,18-21,28,36H,17H2,(H3,34,35)(H,38,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	79	-40.1	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12785 (5-amidinoindole 19 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccc4ccccc4c3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C35H27FN6O/c36-29-18-25(42-20-40-32-7-3-4-8-33(32)42)12-14-31(29)41-35(43)27(16-21-9-10-22-5-1-2-6-23(22)15-21)28-19-39-30-13-11-24(34(37)38)17-26(28)30/h1-15,17-20,27,39H,16H2,(H3,37,38)(H,41,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12793 (5-amidinoindole 27 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2[nH]cc(CC(Cc3ccccc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C32H28N6O/c33-31(34)22-10-15-28-27(18-22)24(19-35-28)17-23(16-21-6-2-1-3-7-21)32(39)37-25-11-13-26(14-12-25)38-20-36-29-8-4-5-9-30(29)38/h1-15,18-20,23,35H,16-17H2,(H3,33,34)(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12790 (3-(4-benzenesulfonamidophenyl)-N-[4-(1H-1,3-benzod...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccc(NS(=O)(=O)c4ccccc4)cc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C37H31N7O3S/c38-36(39)25-12-19-33-30(21-25)32(22-40-33)31(20-24-10-13-27(14-11-24)43-48(46,47)29-6-2-1-3-7-29)37(45)42-26-15-17-28(18-16-26)44-23-41-34-8-4-5-9-35(34)44/h1-19,21-23,31,40,43H,20H2,(H3,38,39)(H,42,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12792 (5-amidinoindole 26 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES Cn1cc(C(Cc2ccccc2)C(=O)Nc2ccc(cc2F)-n2cnc3ccccc23)c2cc(ccc12)C(N)=N Show InChI InChI=1S/C32H27FN6O/c1-38-18-25(23-16-21(31(34)35)11-14-29(23)38)24(15-20-7-3-2-4-8-20)32(40)37-27-13-12-22(17-26(27)33)39-19-36-28-9-5-6-10-30(28)39/h2-14,16-19,24H,15H2,1H3,(H3,34,35)(H,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	-38.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12782 (5-amidinoindole 16 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES CCC(C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)c1c[nH]c2ccc(cc12)C(N)=N Show InChI InChI=1S/C26H24N6O/c1-2-19(21-14-29-22-12-7-16(25(27)28)13-20(21)22)26(33)31-17-8-10-18(11-9-17)32-15-30-23-5-3-4-6-24(23)32/h3-15,19,29H,2H2,1H3,(H3,27,28)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12784 (5-amidinoindole 18 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2[nH]cc(C(CCc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C32H27FN6O/c33-26-17-22(39-19-37-29-8-4-5-9-30(29)39)12-15-28(26)38-32(40)23(13-10-20-6-2-1-3-7-20)25-18-36-27-14-11-21(31(34)35)16-24(25)27/h1-9,11-12,14-19,23,36H,10,13H2,(H3,34,35)(H,38,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12794 (5-amidinoindole 28 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2[nH]cc(C(CC(=O)Nc3ccc(cc3)-n3cnc4ccccc34)Cc3ccccc3)c2c1 Show InChI InChI=1S/C32H28N6O/c33-32(34)22-10-15-28-26(17-22)27(19-35-28)23(16-21-6-2-1-3-7-21)18-31(39)37-24-11-13-25(14-12-24)38-20-36-29-8-4-5-9-30(29)38/h1-15,17,19-20,23,35H,16,18H2,(H3,33,34)(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12789 (5-amidinoindole 23 | N-[4-(2-{[4-(1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccc(NC(=O)c4ccccc4)cc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C38H31N7O2/c39-36(40)26-12-19-33-30(21-26)32(22-41-33)31(20-24-10-13-27(14-11-24)43-37(46)25-6-2-1-3-7-25)38(47)44-28-15-17-29(18-16-28)45-23-42-34-8-4-5-9-35(34)45/h1-19,21-23,31,41H,20H2,(H3,39,40)(H,43,46)(H,44,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12798 (2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3)-n3cnc(c3)-c3ccccc3)c2c1 Show InChI InChI=1S/C33H28N6O/c34-32(35)24-11-16-30-27(18-24)29(19-36-30)28(17-22-7-3-1-4-8-22)33(40)38-25-12-14-26(15-13-25)39-20-31(37-21-39)23-9-5-2-6-10-23/h1-16,18-21,28,36H,17H2,(H3,34,35)(H,38,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12791 (6-amidinoindole 25 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2ccn(C(Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C31H25FN6O/c32-24-18-23(38-19-35-26-8-4-5-9-27(26)38)12-13-25(24)36-31(39)29(16-20-6-2-1-3-7-20)37-15-14-21-10-11-22(30(33)34)17-28(21)37/h1-15,17-19,29H,16H2,(H3,33,34)(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12795 (5-amidinoindole 29 | N-{[4-(1H-1,3-benzodiazol-1-y...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C32H28N6O/c33-31(34)23-12-15-28-25(17-23)27(19-35-28)26(16-21-6-2-1-3-7-21)32(39)36-18-22-10-13-24(14-11-22)38-20-37-29-8-4-5-9-30(29)38/h1-15,17,19-20,26,35H,16,18H2,(H3,33,34)(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12792 (5-amidinoindole 26 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES Cn1cc(C(Cc2ccccc2)C(=O)Nc2ccc(cc2F)-n2cnc3ccccc23)c2cc(ccc12)C(N)=N Show InChI InChI=1S/C32H27FN6O/c1-38-18-25(23-16-21(31(34)35)11-14-29(23)38)24(15-20-7-3-2-4-8-20)32(40)37-27-13-12-22(17-26(27)33)39-19-36-28-9-5-6-10-30(28)39/h2-14,16-19,24H,15H2,1H3,(H3,34,35)(H,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12780 (5-amidinoindole 14 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES CC(C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)c1c[nH]c2ccc(cc12)C(N)=N Show InChI InChI=1S/C25H22N6O/c1-15(20-13-28-21-11-6-16(24(26)27)12-19(20)21)25(32)30-17-7-9-18(10-8-17)31-14-29-22-4-2-3-5-23(22)31/h2-15,28H,1H3,(H3,26,27)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50209971 (1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 Show InChI InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24-,27+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to dopamine transporter				Bioorg Med Chem Lett 17: 2992-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.065 BindingDB Entry DOI: 10.7270/Q2V987SQ
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12799 (4-{[2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenylprop...) Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(CNC(=O)C(Cc4ccccc4)c4c[nH]c5ccc(cc45)C(N)=N)cc3)[nH]c2c1 Show InChI InChI=1S/C34H31N7O4S/c1-46(44,45)24-12-14-29-30(17-24)40-34(39-29)41-32(42)22-9-7-21(8-10-22)18-38-33(43)26(15-20-5-3-2-4-6-20)27-19-37-28-13-11-23(31(35)36)16-25(27)28/h2-14,16-17,19,26,37H,15,18H2,1H3,(H3,35,36)(H,38,43)(H2,39,40,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12776 (2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1 Show InChI InChI=1S/C30H27N5O3S/c31-29(32)21-12-15-27-24(17-21)26(18-34-27)25(16-19-6-2-1-3-7-19)30(36)35-22-13-10-20(11-14-22)23-8-4-5-9-28(23)39(33,37)38/h1-15,17-18,25,34H,16H2,(H3,31,32)(H,35,36)(H2,33,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12781 (5-amidinoindole 15 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES CC(C)(C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)c1c[nH]c2ccc(cc12)C(N)=N Show InChI InChI=1S/C26H24N6O/c1-26(2,20-14-29-21-12-7-16(24(27)28)13-19(20)21)25(33)31-17-8-10-18(11-9-17)32-15-30-22-5-3-4-6-23(22)32/h3-15,29H,1-2H3,(H3,27,28)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12796 (5-amidinoindole 30 | N-(1H-1,3-benzodiazol-2-yl)-4...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3ccc(cc3)C(=O)Nc3nc4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C33H29N7O2/c34-30(35)23-14-15-27-24(17-23)26(19-36-27)25(16-20-6-2-1-3-7-20)32(42)37-18-21-10-12-22(13-11-21)31(41)40-33-38-28-8-4-5-9-29(28)39-33/h1-15,17,19,25,36H,16,18H2,(H3,34,35)(H,37,42)(H2,38,39,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	810	-34.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12779 ((2S)-N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl...) Show SMILES NC(=N)c1ccc2[nH]cc([C@H](Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 |r| Show InChI InChI=1S/C31H25FN6O/c32-25-16-21(38-18-36-28-8-4-5-9-29(28)38)11-13-27(25)37-31(39)23(14-19-6-2-1-3-7-19)24-17-35-26-12-10-20(30(33)34)15-22(24)26/h1-13,15-18,23,35H,14H2,(H3,33,34)(H,37,39)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12796 (5-amidinoindole 30 | N-(1H-1,3-benzodiazol-2-yl)-4...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3ccc(cc3)C(=O)Nc3nc4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C33H29N7O2/c34-30(35)23-14-15-27-24(17-23)26(19-36-27)25(16-20-6-2-1-3-7-20)32(42)37-18-21-10-12-22(13-11-21)31(41)40-33-38-28-8-4-5-9-29(28)39-33/h1-15,17,19,25,36H,16,18H2,(H3,34,35)(H,37,42)(H2,38,39,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50209971 (1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 Show InChI InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24-,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to norepinephrine transporter				Bioorg Med Chem Lett 17: 2992-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.065 BindingDB Entry DOI: 10.7270/Q2V987SQ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12799 (4-{[2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenylprop...) Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(CNC(=O)C(Cc4ccccc4)c4c[nH]c5ccc(cc45)C(N)=N)cc3)[nH]c2c1 Show InChI InChI=1S/C34H31N7O4S/c1-46(44,45)24-12-14-29-30(17-24)40-34(39-29)41-32(42)22-9-7-21(8-10-22)18-38-33(43)26(15-20-5-3-2-4-6-20)27-19-37-28-13-11-23(31(35)36)16-25(27)28/h2-14,16-17,19,26,37H,15,18H2,1H3,(H3,35,36)(H,38,43)(H2,39,40,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	-33.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12788 (5-amidinoindole 22 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3cccnc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C30H25N7O/c31-29(32)20-7-12-26-23(15-20)25(17-34-26)24(14-19-4-3-13-33-16-19)30(38)36-21-8-10-22(11-9-21)37-18-35-27-5-1-2-6-28(27)37/h1-13,15-18,24,34H,14H2,(H3,31,32)(H,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12797 (5-amidinoindole 31 | N-(1H-1,3-benzodiazol-2-yl)-3...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3cccc(c3)C(=O)Nc3nc4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C33H29N7O2/c34-30(35)22-13-14-27-24(17-22)26(19-36-27)25(16-20-7-2-1-3-8-20)32(42)37-18-21-9-6-10-23(15-21)31(41)40-33-38-28-11-4-5-12-29(28)39-33/h1-15,17,19,25,36H,16,18H2,(H3,34,35)(H,37,42)(H2,38,39,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12797 (5-amidinoindole 31 | N-(1H-1,3-benzodiazol-2-yl)-3...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3cccc(c3)C(=O)Nc3nc4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C33H29N7O2/c34-30(35)22-13-14-27-24(17-22)26(19-36-27)25(16-20-7-2-1-3-8-20)32(42)37-18-21-9-6-10-23(15-21)31(41)40-33-38-28-11-4-5-12-29(28)39-33/h1-15,17,19,25,36H,16,18H2,(H3,34,35)(H,37,42)(H2,38,39,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	-31.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair

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