Compile Data Set for Download or QSAR

Found 131 hits with Last Name = 'buriak' and Initial = 'j'   

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
Prothrombin (Homo sapiens (Human))	BDBM50288632 (Boropeptide | CHEMBL607008) Show SMILES Cl.[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#5](-[#8])-[#8] |r| Show InChI InChI=1S/C21H33BN6O5.ClH/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24;/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25);1H/t16-,17+,18+;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069928 (Boropeptide analogue | CHEMBL102385) Show SMILES NC(=N)NCCCC(NC(=O)CN(CC1(CC1)c1ccccc1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C26H36BN5O4/c28-25(29)30-17-7-12-22(27(35)36)31-23(33)18-32(24(34)14-13-20-8-3-1-4-9-20)19-26(15-16-26)21-10-5-2-6-11-21/h1-6,8-11,22,35-36H,7,12-19H2,(H,31,33)(H4,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069926 (Boropeptide analogue | CHEMBL105137) Show SMILES CC(C)(CN(CC(=O)NC(CCCNC(N)=N)B(O)O)C(=O)CCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H38BN5O4/c1-26(2,21-12-7-4-8-13-21)19-32(24(34)16-15-20-10-5-3-6-11-20)18-23(33)31-22(27(35)36)14-9-17-30-25(28)29/h3-8,10-13,22,35-36H,9,14-19H2,1-2H3,(H,31,33)(H4,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12870 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...) Show SMILES Nc1noc2ccc(cc12)-n1nc(c2[nH]c(=O)n(-c3ccc(cc3)-c3ccccc3CN3CC[C@@H](O)C3)c(=O)c12)C(F)(F)F |r| Show InChI InChI=1S/C30H24F3N7O4/c31-30(32,33)26-24-25(40(36-26)19-9-10-23-22(13-19)27(34)37-44-23)28(42)39(29(43)35-24)18-7-5-16(6-8-18)21-4-2-1-3-17(21)14-38-12-11-20(41)15-38/h1-10,13,20,41H,11-12,14-15H2,(H2,34,37)(H,35,43)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.110	-56.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12864 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F Show InChI InChI=1S/C29H24F3N7O2/c1-16-34-24-25(39(35-26(24)29(30,31)32)20-12-13-23-22(14-20)27(33)36-41-23)28(40)38(16)19-10-8-17(9-11-19)21-7-5-4-6-18(21)15-37(2)3/h4-14H,15H2,1-3H3,(H2,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.170	-55.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12866 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...) Show SMILES Cc1nc2c(nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r| Show InChI InChI=1S/C31H26F3N7O3/c1-17-36-26-27(41(37-28(26)31(32,33)34)21-10-11-25-24(14-21)29(35)38-44-25)30(43)40(17)20-8-6-18(7-9-20)23-5-3-2-4-19(23)15-39-13-12-22(42)16-39/h2-11,14,22,42H,12-13,15-16H2,1H3,(H2,35,38)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.180	-55.1	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12676 (1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...) Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.190	-54.9	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 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12868 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...) Show SMILES Nc1noc2ccc(cc12)-n1nc(c2NCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r| Show InChI InChI=1S/C30H26F3N7O3/c31-30(32,33)27-25-26(40(36-27)20-9-10-24-23(13-20)28(34)37-43-24)29(42)39(16-35-25)19-7-5-17(6-8-19)22-4-2-1-3-18(22)14-38-12-11-21(41)15-38/h1-10,13,21,35,41H,11-12,14-16H2,(H2,34,37)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.210	-54.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12871 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(4-hydrox...) Show SMILES Nc1noc2ccc(cc12)-n1nc(c2[nH]c(=O)n(-c3ccc(cc3)-c3ccccc3CN3CCC(O)CC3)c(=O)c12)C(F)(F)F Show InChI InChI=1S/C31H26F3N7O4/c32-31(33,34)27-25-26(41(37-27)20-9-10-24-23(15-20)28(35)38-45-24)29(43)40(30(44)36-25)19-7-5-17(6-8-19)22-4-2-1-3-18(22)16-39-13-11-21(42)12-14-39/h1-10,15,21,42H,11-14,16H2,(H2,35,38)(H,36,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	-54.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12687 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)N1CNc2c(nn(c2C1=O)-c1ccc2onc(N)c2c1)C(F)(F)F Show InChI InChI=1S/C28H24F3N7O2/c1-36(2)14-17-5-3-4-6-20(17)16-7-9-18(10-8-16)37-15-33-23-24(27(37)39)38(34-25(23)28(29,30)31)19-11-12-22-21(13-19)26(32)35-40-22/h3-13,33H,14-15H2,1-2H3,(H2,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	-54.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12860 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O Show InChI InChI=1S/C29H27N7O2/c1-17-26-27(36(32-17)22-13-14-25-24(15-22)28(30)33-38-25)29(37)35(18(2)31-26)21-11-9-19(10-12-21)23-8-6-5-7-20(23)16-34(3)4/h5-15H,16H2,1-4H3,(H2,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	-54.1	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069933 (Boropeptide analogue | CHEMBL102916) Show SMILES Cc1cc(C)cc(CCN(CC(=O)NC(CCCCN)B(O)O)C(=O)CCc2ccccc2)c1 Show InChI InChI=1S/C26H38BN3O4/c1-20-16-21(2)18-23(17-20)13-15-30(26(32)12-11-22-8-4-3-5-9-22)19-25(31)29-24(27(33)34)10-6-7-14-28/h3-5,8-9,16-18,24,33-34H,6-7,10-15,19,28H2,1-2H3,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069935 (Boropeptide analogue | CHEMBL320213) Show SMILES Cc1cc(C)cc(c1)C(C)(C)CN(CC(=O)NC(CCCNC(N)=N)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C28H42BN5O4/c1-20-15-21(2)17-23(16-20)28(3,4)19-34(26(36)13-12-22-9-6-5-7-10-22)18-25(35)33-24(29(37)38)11-8-14-32-27(30)31/h5-7,9-10,15-17,24,37-38H,8,11-14,18-19H2,1-4H3,(H,33,35)(H4,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12869 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1nccn1-c1ccc(c(F)c1)-n1c(=O)[nH]c2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F |(5.96,5.32,;5.96,3.78,;7.29,3.01,;4.63,3.01,;4.63,1.47,;5.87,.57,;5.4,-.9,;3.86,-.9,;3.38,.57,;2.05,1.34,;.71,.57,;-.62,1.34,;-.62,2.88,;.71,3.65,;.71,5.19,;2.05,2.88,;-2.11,3.28,;-2.58,4.74,;-1.55,5.89,;-4.09,5.06,;-5.12,3.92,;-6.66,3.92,;-7.14,2.45,;-5.89,1.55,;-5.89,.01,;-7.23,-.76,;-7.23,-2.3,;-5.89,-3.07,;-5.57,-4.58,;-4.04,-4.74,;-3.41,-3.33,;-1.91,-3.01,;-4.56,-2.3,;-4.56,-.76,;-4.65,2.45,;-3.14,2.13,;-2.74,.65,;-7.57,5.16,;-8.34,6.5,;-6.28,6,;-8.86,4.33,)| Show InChI InChI=1S/C25H19F4N9O3/c1-35(2)11-18-31-7-8-36(18)12-3-5-16(15(26)10-12)37-23(39)20-19(32-24(37)40)21(25(27,28)29)33-38(20)13-4-6-17-14(9-13)22(30)34-41-17/h3-10H,11H2,1-2H3,(H2,30,34)(H,32,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.350	-53.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12862 (1-(3-amino-1,2-benzoxazol-5-yl)-3,5-dimethyl-6-[4-...) Show SMILES CC(C)N(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O Show InChI InChI=1S/C31H31N7O2/c1-18(2)36(5)17-22-8-6-7-9-25(22)21-10-12-23(13-11-21)37-20(4)33-28-19(3)34-38(29(28)31(37)39)24-14-15-27-26(16-24)30(32)35-40-27/h6-16,18H,17H2,1-5H3,(H2,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.350	-53.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12863 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1cnc2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O2/c1-36(2)14-17-5-3-4-6-20(17)16-7-9-18(10-8-16)37-15-33-23-24(27(37)39)38(34-25(23)28(29,30)31)19-11-12-22-21(13-19)26(32)35-40-22/h3-13,15H,14H2,1-2H3,(H2,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.350	-53.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069931 (Boropeptide analogue | CHEMBL105212) Show SMILES CC(C)(CN(CC(=O)NC(CCCCN)B(O)O)C(=O)CCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H38BN3O4/c1-26(2,22-13-7-4-8-14-22)20-30(25(32)17-16-21-11-5-3-6-12-21)19-24(31)29-23(27(33)34)15-9-10-18-28/h3-8,11-14,23,33-34H,9-10,15-20,28H2,1-2H3,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069937 (Boropeptide analogue | CHEMBL102779) Show SMILES Cc1cc(C)cc(CCN(CC(=O)NC(CCCNC=N)B(O)O)C(=O)CCc2ccccc2)c1 Show InChI InChI=1S/C26H37BN4O4/c1-20-15-21(2)17-23(16-20)12-14-31(26(33)11-10-22-7-4-3-5-8-22)18-25(32)30-24(27(34)35)9-6-13-29-19-28/h3-5,7-8,15-17,19,24,34-35H,6,9-14,18H2,1-2H3,(H2,28,29)(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12861 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...) Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1nc(C)n(-c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)c2=O |r| Show InChI InChI=1S/C31H29N7O3/c1-18-28-29(38(34-18)23-11-12-27-26(15-23)30(32)35-41-27)31(40)37(19(2)33-28)22-9-7-20(8-10-22)25-6-4-3-5-21(25)16-36-14-13-24(39)17-36/h3-12,15,24,39H,13-14,16-17H2,1-2H3,(H2,32,35)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.370	-53.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069936 (Boropeptide analogue | CHEMBL319050) Show SMILES Cc1cc(C)cc(c1)C(C)(C)CN(CC(=O)NC(CCCCN)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C28H42BN3O4/c1-21-16-22(2)18-24(17-21)28(3,4)20-32(27(34)14-13-23-10-6-5-7-11-23)19-26(33)31-25(29(35)36)12-8-9-15-30/h5-7,10-11,16-18,25,35-36H,8-9,12-15,19-20,30H2,1-4H3,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069924 (Boropeptide analogue | CHEMBL419734) Show SMILES NCCCCC(NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C24H34BN3O4/c26-17-8-7-13-22(25(31)32)27-23(29)19-28(18-16-21-11-5-2-6-12-21)24(30)15-14-20-9-3-1-4-10-20/h1-6,9-12,22,31-32H,7-8,13-19,26H2,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069930 (Boropeptide analogue | CHEMBL320019) Show SMILES NCCCCC(NC(=O)CN(CC1(CC1)c1ccccc1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C26H36BN3O4/c28-18-8-7-13-23(27(33)34)29-24(31)19-30(25(32)15-14-21-9-3-1-4-10-21)20-26(16-17-26)22-11-5-2-6-12-22/h1-6,9-12,23,33-34H,7-8,13-20,28H2,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12865 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(cyclopr...) Show SMILES Cc1nc2c(nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(cc1)-c1ccccc1CNCC1CC1)C(F)(F)F Show InChI InChI=1S/C31H26F3N7O2/c1-17-37-26-27(41(38-28(26)31(32,33)34)22-12-13-25-24(14-22)29(35)39-43-25)30(42)40(17)21-10-8-19(9-11-21)23-5-3-2-4-20(23)16-36-15-18-6-7-18/h2-5,8-14,18,36H,6-7,15-16H2,1H3,(H2,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	-52.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12857 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3S)-3-h...) Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CC[C@H](O)C1)c2=O |r| Show InChI InChI=1S/C30H27N7O3/c1-18-27-28(37(33-18)22-10-11-26-25(14-22)29(31)34-40-26)30(39)36(17-32-27)21-8-6-19(7-9-21)24-5-3-2-4-20(24)15-35-13-12-23(38)16-35/h2-11,14,17,23,38H,12-13,15-16H2,1H3,(H2,31,34)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	-52.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12855 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1cnc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O Show InChI InChI=1S/C28H25N7O2/c1-17-25-26(35(31-17)21-12-13-24-23(14-21)27(29)32-37-24)28(36)34(16-30-25)20-10-8-18(9-11-20)22-7-5-4-6-19(22)15-33(2)3/h4-14,16H,15H2,1-3H3,(H2,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.530	-52.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069929 (Boropeptide analogue | CHEMBL103078) Show SMILES Cc1cc(C)cc(c1)C(C)(C)CN(CC(=O)NC(CCCNC=N)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C28H41BN4O4/c1-21-15-22(2)17-24(16-21)28(3,4)19-33(27(35)13-12-23-9-6-5-7-10-23)18-26(34)32-25(29(36)37)11-8-14-31-20-30/h5-7,9-10,15-17,20,25,36-37H,8,11-14,18-19H2,1-4H3,(H2,30,31)(H,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069938 (Boropeptide analogue | CHEMBL103077) Show SMILES Cc1cc(C)cc(CCN(CC(=O)NC(CCCNC(N)=N)B(O)O)C(=O)CCc2ccccc2)c1 Show InChI InChI=1S/C26H38BN5O4/c1-19-15-20(2)17-22(16-19)12-14-32(25(34)11-10-21-7-4-3-5-8-21)18-24(33)31-23(27(35)36)9-6-13-30-26(28)29/h3-5,7-8,15-17,23,35-36H,6,9-14,18H2,1-2H3,(H,31,33)(H4,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12720 (6-{2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phe...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3F)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H27FN6O3/c1-40-22-11-9-21(10-12-22)37-28-26(27(34-37)29(32)38)33-18-36(30(28)39)25-13-8-19(16-24(25)31)23-7-3-2-6-20(23)17-35-14-4-5-15-35/h2-3,6-13,16,18H,4-5,14-15,17H2,1H3,(H2,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.740	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 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12873 (5-amino-1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(...) Show SMILES Nc1noc2ccc(cc12)-n1nc(c2nc(N)c(-c3ccc(cc3)-c3ccccc3CN3CCC(O)CC3)c(O)c12)C(F)(F)F Show InChI InChI=1S/C32H28F3N7O3/c33-32(34,35)29-26-27(42(39-29)20-9-10-24-23(15-20)30(36)40-45-24)28(44)25(31(37)38-26)18-7-5-17(6-8-18)22-4-2-1-3-19(22)16-41-13-11-21(43)12-14-41/h1-10,15,21,43H,11-14,16H2,(H2,36,40)(H3,37,38,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.770	-51.5	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069923 (Boropeptide analogue | CHEMBL104331) Show SMILES OB(O)C(CCCNC=N)NC(=O)CN(CC1(CC1)c1ccccc1)C(=O)CCc1ccccc1 Show InChI InChI=1S/C26H35BN4O4/c28-20-29-17-7-12-23(27(34)35)30-24(32)18-31(25(33)14-13-21-8-3-1-4-9-21)19-26(15-16-26)22-10-5-2-6-11-22/h1-6,8-11,20,23,34-35H,7,12-19H2,(H2,28,29)(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069932 (Boropeptide analogue | CHEMBL105393) Show SMILES OB(O)C(CCCNC=N)NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1 Show InChI InChI=1S/C24H33BN4O4/c26-19-27-16-7-12-22(25(32)33)28-23(30)18-29(17-15-21-10-5-2-6-11-21)24(31)14-13-20-8-3-1-4-9-20/h1-6,8-11,19,22,32-33H,7,12-18H2,(H2,26,27)(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12719 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H28N6O3/c1-39-24-14-12-23(13-15-24)36-28-26(27(33-36)29(31)37)32-19-35(30(28)38)22-10-8-20(9-11-22)25-7-3-2-6-21(25)18-34-16-4-5-17-34/h2-3,6-15,19H,4-5,16-18H2,1H3,(H2,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	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 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069925 (Boropeptide analogue | CHEMBL317639) Show SMILES CC(C)(CN(CC(=O)NC(CCCNC=N)B(O)O)C(=O)CCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H37BN4O4/c1-26(2,22-12-7-4-8-13-22)19-31(25(33)16-15-21-10-5-3-6-11-21)18-24(32)30-23(27(34)35)14-9-17-29-20-28/h3-8,10-13,20,23,34-35H,9,14-19H2,1-2H3,(H2,28,29)(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12711 (6-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-(4-meth...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3F)-c3ccccc3S(N)(=O)=O)c(=O)c12 Show InChI InChI=1S/C25H19FN6O5S/c1-37-16-9-7-15(8-10-16)32-23-21(22(30-32)24(27)33)29-13-31(25(23)34)19-11-6-14(12-18(19)26)17-4-2-3-5-20(17)38(28,35)36/h2-13H,1H3,(H2,27,33)(H2,28,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	-50.4	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 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12856 (1-(3-amino-1,2-benzoxazol-5-yl)-3-methyl-6-{4-[2-(...) Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CCCC1)c2=O Show InChI InChI=1S/C30H27N7O2/c1-19-27-28(37(33-19)23-12-13-26-25(16-23)29(31)34-39-26)30(38)36(18-32-27)22-10-8-20(9-11-22)24-7-3-2-6-21(24)17-35-14-4-5-15-35/h2-3,6-13,16,18H,4-5,14-15,17H2,1H3,(H2,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	-50.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50072448 (CHEMBL18767 | {(3-Carbamimidoyl-phenyl)-[3-(2'-sul...) Show SMILES COC(=O)CN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H28N4O4S/c1-33-24(30)17-29(21-8-4-7-20(16-21)25(26)27)15-5-6-18-11-13-19(14-12-18)22-9-2-3-10-23(22)34(28,31)32/h2-4,7-14,16H,5-6,15,17H2,1H3,(H3,26,27)(H2,28,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity against Coagulation factor X in an enzyme inhibition assay.				Bioorg Med Chem Lett 9: 1195-200 (1999) BindingDB Entry DOI: 10.7270/Q20V8BZZ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12726 (1-(4-methoxyphenyl)-5-methyl-6-{4-[2-(pyrrolidin-1...) Show SMILES COc1ccc(cc1)-n1nc(Cn2cnnn2)c2nc(C)n(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C32H31N9O2/c1-22-34-30-29(20-39-21-33-36-37-39)35-41(26-13-15-27(43-2)16-14-26)31(30)32(42)40(22)25-11-9-23(10-12-25)28-8-4-3-7-24(28)19-38-17-5-6-18-38/h3-4,7-16,21H,5-6,17-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	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 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12859 (1-(3-amino-1,2-benzoxazol-5-yl)-3-methyl-6-(4-{2-[...) Show SMILES CC(C)NCc1ccccc1-c1ccc(cc1)-n1cnc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O Show InChI InChI=1S/C29H27N7O2/c1-17(2)31-15-20-6-4-5-7-23(20)19-8-10-21(11-9-19)35-16-32-26-18(3)33-36(27(26)29(35)37)22-12-13-25-24(14-22)28(30)34-38-25/h4-14,16-17,31H,15H2,1-3H3,(H2,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	-49.9	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12721 (6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CC[C@@H](O)C3)c(=O)c12 |r| Show InChI InChI=1S/C30H28N6O4/c1-40-24-12-10-22(11-13-24)36-28-26(27(33-36)29(31)38)32-18-35(30(28)39)21-8-6-19(7-9-21)25-5-3-2-4-20(25)16-34-15-14-23(37)17-34/h2-13,18,23,37H,14-17H2,1H3,(H2,31,38)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	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 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12854 (Pyrazolo[4,3-d]pyrimidinone 12 | ethyl 1-(3-amino-...) Show SMILES CCOC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CCCC1)c2=O Show InChI InChI=1S/C32H29N7O4/c1-2-42-32(41)28-27-29(39(35-28)23-13-14-26-25(17-23)30(33)36-43-26)31(40)38(19-34-27)22-11-9-20(10-12-22)24-8-4-3-7-21(24)18-37-15-5-6-16-37/h3-4,7-14,17,19H,2,5-6,15-16,18H2,1H3,(H2,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	-49.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12858 (1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(cyclopr...) Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CNCC1CC1)c2=O Show InChI InChI=1S/C30H27N7O2/c1-18-27-28(37(34-18)23-12-13-26-25(14-23)29(31)35-39-26)30(38)36(17-33-27)22-10-8-20(9-11-22)24-5-3-2-4-21(24)16-32-15-19-6-7-19/h2-5,8-14,17,19,32H,6-7,15-16H2,1H3,(H2,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	-49.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					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 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12710 (1-(4-methoxyphenyl)-7-oxo-6-[4-(2-sulfamoylphenyl)...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c(=O)c12 Show InChI InChI=1S/C25H20N6O5S/c1-36-18-12-10-17(11-13-18)31-23-21(22(29-31)24(26)32)28-14-30(25(23)33)16-8-6-15(7-9-16)19-4-2-3-5-20(19)37(27,34)35/h2-14H,1H3,(H2,26,32)(H2,27,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	-49.6	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 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12722 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H26N6O2/c1-38-25-14-12-24(13-15-25)36-29-28(27(18-31)33-36)32-20-35(30(29)37)23-10-8-21(9-11-23)26-7-3-2-6-22(26)19-34-16-4-5-17-34/h2-3,6-15,20H,4-5,16-17,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	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 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12709 (methyl 6-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-...) Show SMILES COC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(cc1F)-c1ccccc1S(N)(=O)=O)c2=O Show InChI InChI=1S/C26H20FN5O6S/c1-37-17-10-8-16(9-11-17)32-24-22(23(30-32)26(34)38-2)29-14-31(25(24)33)20-12-7-15(13-19(20)27)18-5-3-4-6-21(18)39(28,35)36/h3-14H,1-2H3,(H2,28,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50076911 ((4R,5R)-5-(3-Carbamimidoyl-phenyl)-2-(2'-sulfamoyl...) Show SMILES CC(C)OC(=O)[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2S(N)(=O)=O)O[C@H]1c1cccc(c1)C(N)=N Show InChI InChI=1S/C27H30N4O5S/c1-17(2)35-27(32)23-16-31(36-25(23)20-6-5-7-21(14-20)26(28)29)15-18-10-12-19(13-11-18)22-8-3-4-9-24(22)37(30,33)34/h3-14,17,23,25H,15-16H2,1-2H3,(H3,28,29)(H2,30,33,34)/t23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity against Coagulation factor X in an enzyme inhibition assay.				Bioorg Med Chem Lett 9: 1195-200 (1999) BindingDB Entry DOI: 10.7270/Q20V8BZZ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12724 (6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2nc(C)n(-c3ccc(cc3)-c3ccccc3CN(C)C)c(=O)c12 Show InChI InChI=1S/C29H26N6O2/c1-19-31-27-26(17-30)32-35(23-13-15-24(37-4)16-14-23)28(27)29(36)34(19)22-11-9-20(10-12-22)25-8-6-5-7-21(25)18-33(2)3/h5-16H,18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	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 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12712 (2-{4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-1H,6H,7H-p...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2ncn(-c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c(=O)c12 Show InChI InChI=1S/C25H18N6O4S/c1-35-19-12-10-18(11-13-19)31-24-23(21(14-26)29-31)28-15-30(25(24)32)17-8-6-16(7-9-17)20-4-2-3-5-22(20)36(27,33)34/h2-13,15H,1H3,(H2,27,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	-49.3	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 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12727 (1-(4-methoxyphenyl)-5-methyl-6-{4-[2-(pyrrolidin-1...) Show SMILES COc1ccc(cc1)-n1nc(Cn2ncnn2)c2nc(C)n(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C32H31N9O2/c1-22-35-30-29(20-39-34-21-33-37-39)36-41(26-13-15-27(43-2)16-14-26)31(30)32(42)40(22)25-11-9-23(10-12-25)28-8-4-3-7-24(28)19-38-17-5-6-18-38/h3-4,7-16,21H,5-6,17-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	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 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12725 (3-(1H-imidazol-1-ylmethyl)-1-(4-methoxyphenyl)-5-m...) Show SMILES COc1ccc(cc1)-n1nc(Cn2ccnc2)c2nc(C)n(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C34H33N7O2/c1-24-36-32-31(22-39-20-17-35-23-39)37-41(28-13-15-29(43-2)16-14-28)33(32)34(42)40(24)27-11-9-25(10-12-27)30-8-4-3-7-26(30)21-38-18-5-6-19-38/h3-4,7-17,20,23H,5-6,18-19,21-22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	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 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12723 (6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2ncn(-c3ccc(cc3)-c3ccccc3CN(C)C)c(=O)c12 Show InChI InChI=1S/C28H24N6O2/c1-32(2)17-20-6-4-5-7-24(20)19-8-10-21(11-9-19)33-18-30-26-25(16-29)31-34(27(26)28(33)35)22-12-14-23(36-3)15-13-22/h4-15,18H,17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	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 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair

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