Compile Data Set for Download or QSAR

Found 3718 hits with Last Name = 'duncia' and Initial = 'jv'   

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))	BDBM50288406 (1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...) Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O Show InChI InChI=1S/C21H33BN6O5/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)/t16-,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine protease 1 (Homo sapiens (Human))	BDBM50288406 (1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...) Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O Show InChI InChI=1S/C21H33BN6O5/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)/t16-,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50289586 (3-Methyl-2'-sulfamoyl-biphenyl-4-carboxylic acid [...) Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1S(N)(=O)=O |TLB:30:28:25:23| Show InChI InChI=1S/C29H40BN5O5S/c1-17-14-18(21-8-5-6-9-22(21)41(33,37)38)11-12-20(17)26(36)35-25(10-7-13-34-27(31)32)30-39-24-16-19-15-23(28(19,2)3)29(24,4)40-30/h5-6,8-9,11-12,14,19,23-25H,7,10,13,15-16H2,1-4H3,(H,35,36)(H4,31,32,34)(H2,33,37,38)/t19?,23?,24-,25+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084682 (1-[3-(4-Carbamimidoyl-phenyl)-2-(2-methyl-1,2,3,4-...) Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1S(=O)(=O)NC(C)(C)C |TLB:30:28:25:23| Show InChI InChI=1S/C33H48BN5O5S/c1-20-17-21(24-11-8-9-12-25(24)45(41,42)39-31(2,3)4)14-15-23(20)29(40)38-28(13-10-16-37-30(35)36)34-43-27-19-22-18-26(32(22,5)6)33(27,7)44-34/h8-9,11-12,14-15,17,22,26-28,39H,10,13,16,18-19H2,1-7H3,(H,38,40)(H4,35,36,37)/t22?,26?,27-,28+,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069172 (Boronate Ester analogue | CHEMBL423259) Show SMILES CN(CC(=O)N[C@@H](CCCSC(N)=N)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H27BN4O4S/c1-22(16(24)10-9-13-6-3-2-4-7-13)12-15(23)21-14(18(25)26)8-5-11-27-17(19)20/h2-4,6-7,14,25-26H,5,8-12H2,1H3,(H3,19,20)(H,21,23)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition against human thrombin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289591 (2'-Diethylsulfamoyl-3-methyl-biphenyl-4-carboxylic...) Show SMILES CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CCCNC(N)=N)B2O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O2)c(C)c1 |TLB:41:39:36:34| Show InChI InChI=1S/C33H48BN5O5S/c1-7-39(8-2)45(41,42)26-13-10-9-12-25(26)22-15-16-24(21(3)18-22)30(40)38-29(14-11-17-37-31(35)36)34-43-28-20-23-19-27(32(23,4)5)33(28,6)44-34/h9-10,12-13,15-16,18,23,27-29H,7-8,11,14,17,19-20H2,1-6H3,(H,38,40)(H4,35,36,37)/t23?,27?,28-,29+,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289587 (3-Methyl-biphenyl-4-carboxylic acid [(R)-4-guanidi...) Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1 |TLB:30:28:25:23| Show InChI InChI=1S/C29H39BN4O3/c1-18-15-20(19-9-6-5-7-10-19)12-13-22(18)26(35)34-25(11-8-14-33-27(31)32)30-36-24-17-21-16-23(28(21,2)3)29(24,4)37-30/h5-7,9-10,12-13,15,21,23-25H,8,11,14,16-17H2,1-4H3,(H,34,35)(H4,31,32,33)/t21?,23?,24-,25+,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289575 (3-Methyl-2'-trifluoromethyl-biphenyl-4-carboxylic ...) Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1C(F)(F)F |TLB:30:28:25:23| Show InChI InChI=1S/C30H38BF3N4O3/c1-17-14-18(21-8-5-6-9-22(21)30(32,33)34)11-12-20(17)26(39)38-25(10-7-13-37-27(35)36)31-40-24-16-19-15-23(28(19,2)3)29(24,4)41-31/h5-6,8-9,11-12,14,19,23-25H,7,10,13,15-16H2,1-4H3,(H,38,39)(H4,35,36,37)/t19?,23?,24-,25+,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50289591 (2'-Diethylsulfamoyl-3-methyl-biphenyl-4-carboxylic...) Show SMILES CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CCCNC(N)=N)B2O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O2)c(C)c1 |TLB:41:39:36:34| Show InChI InChI=1S/C33H48BN5O5S/c1-7-39(8-2)45(41,42)26-13-10-9-12-25(26)22-15-16-24(21(3)18-22)30(40)38-29(14-11-17-37-31(35)36)34-43-28-20-23-19-27(32(23,4)5)33(28,6)44-34/h9-10,12-13,15-16,18,23,27-29H,7-8,11,14,17,19-20H2,1-6H3,(H,38,40)(H4,35,36,37)/t23?,27?,28-,29+,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50289582 (3-Methyl-2'-methylsulfonylcarbamate-biphenyl-4-car...) Show SMILES COC(=O)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CCCNC(N)=N)B2O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O2)c(C)c1 |TLB:41:39:36:34| Show InChI InChI=1S/C31H42BN5O7S/c1-18-15-19(22-9-6-7-10-23(22)45(40,41)37-29(39)42-5)12-13-21(18)27(38)36-26(11-8-14-35-28(33)34)32-43-25-17-20-16-24(30(20,2)3)31(25,4)44-32/h6-7,9-10,12-13,15,20,24-26H,8,11,14,16-17H2,1-5H3,(H,36,38)(H,37,39)(H4,33,34,35)/t20?,24?,25-,26+,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50084682 (1-[3-(4-Carbamimidoyl-phenyl)-2-(2-methyl-1,2,3,4-...) Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1S(=O)(=O)NC(C)(C)C |TLB:30:28:25:23| Show InChI InChI=1S/C33H48BN5O5S/c1-20-17-21(24-11-8-9-12-25(24)45(41,42)39-31(2,3)4)14-15-23(20)29(40)38-28(13-10-16-37-30(35)36)34-43-27-19-22-18-26(32(22,5)6)33(27,7)44-34/h8-9,11-12,14-15,17,22,26-28,39H,10,13,16,18-19H2,1-7H3,(H,38,40)(H4,35,36,37)/t22?,26?,27-,28+,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289586 (3-Methyl-2'-sulfamoyl-biphenyl-4-carboxylic acid [...) Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1S(N)(=O)=O |TLB:30:28:25:23| Show InChI InChI=1S/C29H40BN5O5S/c1-17-14-18(21-8-5-6-9-22(21)41(33,37)38)11-12-20(17)26(36)35-25(10-7-13-34-27(31)32)30-39-24-16-19-15-23(28(19,2)3)29(24,4)40-30/h5-6,8-9,11-12,14,19,23-25H,7,10,13,15-16H2,1-4H3,(H,35,36)(H4,31,32,34)(H2,33,37,38)/t19?,23?,24-,25+,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289576 (Biphenyl-4-carboxylic acid [(R)-4-guanidino-1-((2S...) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)c1ccc(cc1)-c1ccccc1 |THB:8:6:1:4| Show InChI InChI=1S/C28H37BN4O3/c1-27(2)21-16-22(27)28(3)23(17-21)35-29(36-28)24(10-7-15-32-26(30)31)33-25(34)20-13-11-19(12-14-20)18-8-5-4-6-9-18/h4-6,8-9,11-14,21-24H,7,10,15-17H2,1-3H3,(H,33,34)(H4,30,31,32)/t21?,22?,23-,24+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289582 (3-Methyl-2'-methylsulfonylcarbamate-biphenyl-4-car...) Show SMILES COC(=O)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CCCNC(N)=N)B2O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O2)c(C)c1 |TLB:41:39:36:34| Show InChI InChI=1S/C31H42BN5O7S/c1-18-15-19(22-9-6-7-10-23(22)45(40,41)37-29(39)42-5)12-13-21(18)27(38)36-26(11-8-14-35-28(33)34)32-43-25-17-20-16-24(30(20,2)3)31(25,4)44-32/h6-7,9-10,12-13,15,20,24-26H,8,11,14,16-17H2,1-5H3,(H,36,38)(H,37,39)(H4,33,34,35)/t20?,24?,25-,26+,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289598 (3-Fluoro-biphenyl-4-carboxylic acid [(R)-4-guanidi...) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)c1ccc(cc1F)-c1ccccc1 |THB:8:6:1:4| Show InChI InChI=1S/C28H36BFN4O3/c1-27(2)19-15-22(27)28(3)23(16-19)36-29(37-28)24(10-7-13-33-26(31)32)34-25(35)20-12-11-18(14-21(20)30)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,19,22-24H,7,10,13,15-16H2,1-3H3,(H,34,35)(H4,31,32,33)/t19?,22?,23-,24+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289588 (3-Amino-biphenyl-4-carboxylic acid [(R)-4-guanidin...) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)c1ccc(cc1N)-c1ccccc1 |THB:8:6:1:4| Show InChI InChI=1S/C28H38BN5O3/c1-27(2)19-15-22(27)28(3)23(16-19)36-29(37-28)24(10-7-13-33-26(31)32)34-25(35)20-12-11-18(14-21(20)30)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,19,22-24H,7,10,13,15-16,30H2,1-3H3,(H,34,35)(H4,31,32,33)/t19?,22?,23-,24+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289596 (CHEMBL264370 | N-[(1S)-4-{[(Z)-amino(imino)methyl]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)B(O)O Show InChI InChI=1S/C18H23BN4O3/c20-18(21)22-12-4-7-16(19(25)26)23-17(24)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11,16,25-26H,4,7,12H2,(H,23,24)(H4,20,21,22)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069174 (Boronate Ester analogue | CHEMBL317682 | N-[(5-Ami...) Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H28BN3O4/c1-21(17(23)11-10-14-7-3-2-4-8-14)13-16(22)20-15(18(24)25)9-5-6-12-19/h2-4,7-8,15,24-25H,5-6,9-13,19H2,1H3,(H,20,22)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	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 Inhibition against human thrombin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069173 (CHEMBL2373403 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CC#N)nc1Cc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C28H38BN7O5/c1-27(2)19-15-21(27)28(3)22(16-19)40-29(41-28)23(9-4-5-11-30)32-26(37)17-35-25(33-24(34-35)10-12-31)14-18-7-6-8-20(13-18)36(38)39/h6-8,13,19,21-23H,4-5,9-11,14-17,30H2,1-3H3,(H,32,37)/t19-,21-,22+,23-,28-/m0/s1	PDB UniProtKB/SwissProt 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 Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition against human thrombin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50069151 (CHEMBL2373397 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CS(C)(=O)=O)nc1Cc1ccccc1 Show InChI InChI=1S/C28H42BN5O5S/c1-27(2)20-15-21(27)28(3)22(16-20)38-29(39-28)23(12-8-9-13-30)31-26(35)17-34-25(14-19-10-6-5-7-11-19)32-24(33-34)18-40(4,36)37/h5-7,10-11,20-23H,8-9,12-18,30H2,1-4H3,(H,31,35)/t20-,21-,22+,23-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	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 Inhibition of trypsin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50069149 (CHEMBL2373402 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CCC)nc1Cc1ccccc1 Show InChI InChI=1S/C29H44BN5O3/c1-5-11-25-33-26(16-20-12-7-6-8-13-20)35(34-25)19-27(36)32-24(14-9-10-15-31)30-37-23-18-21-17-22(28(21,2)3)29(23,4)38-30/h6-8,12-13,21-24H,5,9-11,14-19,31H2,1-4H3,(H,32,36)/t21-,22-,23+,24-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	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 Inhibition against human Coagulation factor VII				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50069149 (CHEMBL2373402 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CCC)nc1Cc1ccccc1 Show InChI InChI=1S/C29H44BN5O3/c1-5-11-25-33-26(16-20-12-7-6-8-13-20)35(34-25)19-27(36)32-24(14-9-10-15-31)30-37-23-18-21-17-22(28(21,2)3)29(23,4)38-30/h6-8,12-13,21-24H,5,9-11,14-19,31H2,1-4H3,(H,32,36)/t21-,22-,23+,24-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	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 Inhibition of trypsin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069149 (CHEMBL2373402 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CCC)nc1Cc1ccccc1 Show InChI InChI=1S/C29H44BN5O3/c1-5-11-25-33-26(16-20-12-7-6-8-13-20)35(34-25)19-27(36)32-24(14-9-10-15-31)30-37-23-18-21-17-22(28(21,2)3)29(23,4)38-30/h6-8,12-13,21-24H,5,9-11,14-19,31H2,1-4H3,(H,32,36)/t21-,22-,23+,24-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	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 Inhibition against human thrombin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069150 (CHEMBL2373408 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CC#N)nc1CCc1ccccc1 Show InChI InChI=1S/C29H41BN6O3/c1-28(2)21-17-22(28)29(3)23(18-21)38-30(39-29)24(11-7-8-15-31)33-27(37)19-36-26(34-25(35-36)14-16-32)13-12-20-9-5-4-6-10-20/h4-6,9-10,21-24H,7-8,11-15,17-19,31H2,1-3H3,(H,33,37)/t21-,22-,23+,24-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	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 Inhibition against human thrombin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50069158 (CHEMBL2373440 | N-(1-{[(R)-5-Amino-1-((1S,2S,6R,8S...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CNC(=O)CC(C)(C)C)nc1Cc1ccccc1 Show InChI InChI=1S/C33H51BN6O4/c1-31(2,3)19-29(41)36-20-27-38-28(16-22-12-8-7-9-13-22)40(39-27)21-30(42)37-26(14-10-11-15-35)34-43-25-18-23-17-24(32(23,4)5)33(25,6)44-34/h7-9,12-13,23-26H,10-11,14-21,35H2,1-6H3,(H,36,41)(H,37,42)/t23-,24-,25+,26-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	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 Inhibition of trypsin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50289575 (3-Methyl-2'-trifluoromethyl-biphenyl-4-carboxylic ...) Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1C(F)(F)F |TLB:30:28:25:23| Show InChI InChI=1S/C30H38BF3N4O3/c1-17-14-18(21-8-5-6-9-22(21)30(32,33)34)11-12-20(17)26(39)38-25(10-7-13-37-27(35)36)31-40-24-16-19-15-23(28(19,2)3)29(24,4)41-31/h5-6,8-9,11-12,14,19,23-25H,7,10,13,15-16H2,1-4H3,(H,38,39)(H4,35,36,37)/t19?,23?,24-,25+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069159 (CHEMBL2375178 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CC#N)nc1Cc1ccccc1 Show InChI InChI=1S/C28H39BN6O3/c1-27(2)20-16-21(27)28(3)22(17-20)37-29(38-28)23(11-7-8-13-30)32-26(36)18-35-25(33-24(34-35)12-14-31)15-19-9-5-4-6-10-19/h4-6,9-10,20-23H,7-8,11-13,15-18,30H2,1-3H3,(H,32,36)/t20-,21-,22+,23-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	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 Concentration of the compound necessary to double the time required for clot formation induced by the addition of 4 NIH u/mL(final concentration) bov...				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50069159 (CHEMBL2375178 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CC#N)nc1Cc1ccccc1 Show InChI InChI=1S/C28H39BN6O3/c1-27(2)20-16-21(27)28(3)22(17-20)37-29(38-28)23(11-7-8-13-30)32-26(36)18-35-25(33-24(34-35)12-14-31)15-19-9-5-4-6-10-19/h4-6,9-10,20-23H,7-8,11-13,15-18,30H2,1-3H3,(H,32,36)/t20-,21-,22+,23-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	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 Inhibition of trypsin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50069159 (CHEMBL2375178 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CC#N)nc1Cc1ccccc1 Show InChI InChI=1S/C28H39BN6O3/c1-27(2)20-16-21(27)28(3)22(17-20)37-29(38-28)23(11-7-8-13-30)32-26(36)18-35-25(33-24(34-35)12-14-31)15-19-9-5-4-6-10-19/h4-6,9-10,20-23H,7-8,11-13,15-18,30H2,1-3H3,(H,32,36)/t20-,21-,22+,23-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	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 Inhibition against human Coagulation factor VII				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069159 (CHEMBL2375178 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CC#N)nc1Cc1ccccc1 Show InChI InChI=1S/C28H39BN6O3/c1-27(2)20-16-21(27)28(3)22(17-20)37-29(38-28)23(11-7-8-13-30)32-26(36)18-35-25(33-24(34-35)12-14-31)15-19-9-5-4-6-10-19/h4-6,9-10,20-23H,7-8,11-13,15-18,30H2,1-3H3,(H,32,36)/t20-,21-,22+,23-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	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 Inhibition against human thrombin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289579 (3'-Methanesulfonylamino-biphenyl-3-carboxylic acid...) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)c1cccc(c1)-c1cccc(NS(C)(=O)=O)c1 |THB:8:6:1:4| Show InChI InChI=1S/C29H40BN5O5S/c1-28(2)21-16-23(28)29(3)24(17-21)39-30(40-29)25(12-7-13-33-27(31)32)34-26(36)20-10-5-8-18(14-20)19-9-6-11-22(15-19)35-41(4,37)38/h5-6,8-11,14-15,21,23-25,35H,7,12-13,16-17H2,1-4H3,(H,34,36)(H4,31,32,33)/t21?,23?,24-,25+,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50289579 (3'-Methanesulfonylamino-biphenyl-3-carboxylic acid...) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)c1cccc(c1)-c1cccc(NS(C)(=O)=O)c1 |THB:8:6:1:4| Show InChI InChI=1S/C29H40BN5O5S/c1-28(2)21-16-23(28)29(3)24(17-21)39-30(40-29)25(12-7-13-33-27(31)32)34-26(36)20-10-5-8-18(14-20)19-9-6-11-22(15-19)35-41(4,37)38/h5-6,8-11,14-15,21,23-25,35H,7,12-13,16-17H2,1-4H3,(H,34,36)(H4,31,32,33)/t21?,23?,24-,25+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50289587 (3-Methyl-biphenyl-4-carboxylic acid [(R)-4-guanidi...) Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1 |TLB:30:28:25:23| Show InChI InChI=1S/C29H39BN4O3/c1-18-15-20(19-9-6-5-7-10-19)12-13-22(18)26(35)34-25(11-8-14-33-27(31)32)30-36-24-17-21-16-23(28(21,2)3)29(24,4)37-30/h5-7,9-10,12-13,15,21,23-25H,8,11,14,16-17H2,1-4H3,(H,34,35)(H4,31,32,33)/t21?,23?,24-,25+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50289595 (2-Amino-biphenyl-4-carboxylic acid [(R)-4-guanidin...) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)c1ccc(c(N)c1)-c1ccccc1 |THB:8:6:1:4| Show InChI InChI=1S/C28H38BN5O3/c1-27(2)19-15-22(27)28(3)23(16-19)36-29(37-28)24(10-7-13-33-26(31)32)34-25(35)18-11-12-20(21(30)14-18)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,19,22-24H,7,10,13,15-16,30H2,1-3H3,(H,34,35)(H4,31,32,33)/t19?,22?,23-,24+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289584 (3-Nitro-biphenyl-4-carboxylic acid [(R)-4-guanidin...) Show SMILES CC1(C)C2CC1C1(C)OB(OC1C2)C(CCC[N-]C(N)=[NH2+])NC(=O)c1ccc(cc1[N+]([O-])=O)-c1ccccc1 |THB:8:6:1:4| Show InChI InChI=1S/C28H36BN5O5/c1-27(2)19-15-22(27)28(3)23(16-19)38-29(39-28)24(10-7-13-32-26(30)31)33-25(35)20-12-11-18(14-21(20)34(36)37)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,19,22-24H,7,10,13,15-16H2,1-3H3,(H5,30,31,32,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50289581 (2-Nitro-biphenyl-4-carboxylic acid [(R)-4-guanidin...) Show SMILES CC1(C)C2CC1C1(C)OB(OC1C2)C(CCC[N-]C(N)=[NH2+])NC(=O)c1ccc(-c2ccccc2)c(c1)[N+]([O-])=O |THB:8:6:1:4| Show InChI InChI=1S/C28H36BN5O5/c1-27(2)19-15-22(27)28(3)23(16-19)38-29(39-28)24(10-7-13-32-26(30)31)33-25(35)18-11-12-20(21(14-18)34(36)37)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,19,22-24H,7,10,13,15-16H2,1-3H3,(H5,30,31,32,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289581 (2-Nitro-biphenyl-4-carboxylic acid [(R)-4-guanidin...) Show SMILES CC1(C)C2CC1C1(C)OB(OC1C2)C(CCC[N-]C(N)=[NH2+])NC(=O)c1ccc(-c2ccccc2)c(c1)[N+]([O-])=O |THB:8:6:1:4| Show InChI InChI=1S/C28H36BN5O5/c1-27(2)19-15-22(27)28(3)23(16-19)38-29(39-28)24(10-7-13-32-26(30)31)33-25(35)18-11-12-20(21(14-18)34(36)37)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,19,22-24H,7,10,13,15-16H2,1-3H3,(H5,30,31,32,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50289588 (3-Amino-biphenyl-4-carboxylic acid [(R)-4-guanidin...) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)c1ccc(cc1N)-c1ccccc1 |THB:8:6:1:4| Show InChI InChI=1S/C28H38BN5O3/c1-27(2)19-15-22(27)28(3)23(16-19)36-29(37-28)24(10-7-13-33-26(31)32)34-25(35)20-12-11-18(14-21(20)30)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,19,22-24H,7,10,13,15-16,30H2,1-3H3,(H,34,35)(H4,31,32,33)/t19?,22?,23-,24+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069154 (3-(1-{[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethy...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CCC(=O)OC(C)(C)C)nc1Cc1ccccc1 Show InChI InChI=1S/C33H50BN5O5/c1-31(2,3)42-30(41)16-15-27-37-28(18-22-12-8-7-9-13-22)39(38-27)21-29(40)36-26(14-10-11-17-35)34-43-25-20-23-19-24(32(23,4)5)33(25,6)44-34/h7-9,12-13,23-26H,10-11,14-21,35H2,1-6H3,(H,36,40)/t23-,24-,25+,26-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.5	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 Inhibition against human thrombin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50069154 (3-(1-{[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethy...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CCC(=O)OC(C)(C)C)nc1Cc1ccccc1 Show InChI InChI=1S/C33H50BN5O5/c1-31(2,3)42-30(41)16-15-27-37-28(18-22-12-8-7-9-13-22)39(38-27)21-29(40)36-26(14-10-11-17-35)34-43-25-20-23-19-24(32(23,4)5)33(25,6)44-34/h7-9,12-13,23-26H,10-11,14-21,35H2,1-6H3,(H,36,40)/t23-,24-,25+,26-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.5	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 Inhibition against human coagulation factor Xa				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50069154 (3-(1-{[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethy...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CCC(=O)OC(C)(C)C)nc1Cc1ccccc1 Show InChI InChI=1S/C33H50BN5O5/c1-31(2,3)42-30(41)16-15-27-37-28(18-22-12-8-7-9-13-22)39(38-27)21-29(40)36-26(14-10-11-17-35)34-43-25-20-23-19-24(32(23,4)5)33(25,6)44-34/h7-9,12-13,23-26H,10-11,14-21,35H2,1-6H3,(H,36,40)/t23-,24-,25+,26-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.5	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 Inhibition of trypsin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289595 (2-Amino-biphenyl-4-carboxylic acid [(R)-4-guanidin...) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)c1ccc(c(N)c1)-c1ccccc1 |THB:8:6:1:4| Show InChI InChI=1S/C28H38BN5O3/c1-27(2)19-15-22(27)28(3)23(16-19)36-29(37-28)24(10-7-13-33-26(31)32)34-25(35)18-11-12-20(21(30)14-18)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,19,22-24H,7,10,13,15-16,30H2,1-3H3,(H,34,35)(H4,31,32,33)/t19?,22?,23-,24+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289594 (2-Biphenyl-4-yl-N-[(R)-4-guanidino-1-((2S,6R)-2,9,...) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(cc1)-c1ccccc1 |THB:8:6:1:4| Show InChI InChI=1S/C29H39BN4O3/c1-28(2)22-17-23(28)29(3)24(18-22)36-30(37-29)25(10-7-15-33-27(31)32)34-26(35)16-19-11-13-21(14-12-19)20-8-5-4-6-9-20/h4-6,8-9,11-14,22-25H,7,10,15-18H2,1-3H3,(H,34,35)(H4,31,32,33)/t22?,23?,24-,25+,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50289589 (Biphenyl-3-carboxylic acid [(R)-4-guanidino-1-((2S...) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)c1cccc(c1)-c1ccccc1 |THB:8:6:1:4| Show InChI InChI=1S/C28H37BN4O3/c1-27(2)21-16-22(27)28(3)23(17-21)35-29(36-28)24(13-8-14-32-26(30)31)33-25(34)20-12-7-11-19(15-20)18-9-5-4-6-10-18/h4-7,9-12,15,21-24H,8,13-14,16-17H2,1-3H3,(H,33,34)(H4,30,31,32)/t21?,22?,23-,24+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289580 (CHEMBL290720 | {3'-[(R)-4-Guanidino-1-((2S,6R)-2,9...) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1cccc(c1)C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:43:41:38:36| Show InChI InChI=1S/C33H46BN5O5/c1-31(2,3)42-30(41)38-24-13-8-11-21(17-24)20-10-7-12-22(16-20)28(40)39-27(14-9-15-37-29(35)36)34-43-26-19-23-18-25(32(23,4)5)33(26,6)44-34/h7-8,10-13,16-17,23,25-27H,9,14-15,18-19H2,1-6H3,(H,38,41)(H,39,40)(H4,35,36,37)/t23?,25?,26-,27+,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50069156 (CHEMBL2373349 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(C)nc1Cc1ccccc1 Show InChI InChI=1S/C27H40BN5O3/c1-18-30-24(14-19-10-6-5-7-11-19)33(32-18)17-25(34)31-23(12-8-9-13-29)28-35-22-16-20-15-21(26(20,2)3)27(22,4)36-28/h5-7,10-11,20-23H,8-9,12-17,29H2,1-4H3,(H,31,34)/t20-,21-,22+,23-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.60	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 Inhibition against human Coagulation factor VII				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069161 (CHEMBL2373344 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(COCc2ccccc2)nc1Cc1ccccc1 Show InChI InChI=1S/C34H46BN5O4/c1-33(2)26-19-27(33)34(3)28(20-26)43-35(44-34)29(16-10-11-17-36)37-32(41)21-40-31(18-24-12-6-4-7-13-24)38-30(39-40)23-42-22-25-14-8-5-9-15-25/h4-9,12-15,26-29H,10-11,16-23,36H2,1-3H3,(H,37,41)/t26-,27-,28+,29-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.70	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 Inhibition against human thrombin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50069165 (CHEMBL2373346 | N-(1-{[(R)-5-Amino-1-((1S,2S,6R,8S...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CNC(=O)C(C)C)nc1Cc1ccccc1 Show InChI InChI=1S/C31H47BN6O4/c1-20(2)29(40)34-18-26-36-27(15-21-11-7-6-8-12-21)38(37-26)19-28(39)35-25(13-9-10-14-33)32-41-24-17-22-16-23(30(22,3)4)31(24,5)42-32/h6-8,11-12,20,22-25H,9-10,13-19,33H2,1-5H3,(H,34,40)(H,35,39)/t22-,23-,24+,25-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.60	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 Inhibition of trypsin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289597 (4-Methyl-2-phenyl-pyrimidine-5-carboxylic acid [(R...) Show SMILES Cc1nc(ncc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1 |TLB:30:28:25:23| Show InChI InChI=1S/C27H37BN6O3/c1-16-19(15-32-23(33-16)17-9-6-5-7-10-17)24(35)34-22(11-8-12-31-25(29)30)28-36-21-14-18-13-20(26(18,2)3)27(21,4)37-28/h5-7,9-10,15,18,20-22H,8,11-14H2,1-4H3,(H,34,35)(H4,29,30,31)/t18?,20?,21-,22+,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069151 (CHEMBL2373397 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CS(C)(=O)=O)nc1Cc1ccccc1 Show InChI InChI=1S/C28H42BN5O5S/c1-27(2)20-15-21(27)28(3)22(16-20)38-29(39-28)23(12-8-9-13-30)31-26(35)17-34-25(14-19-10-6-5-7-11-19)32-24(33-34)18-40(4,36)37/h5-7,10-11,20-23H,8-9,12-18,30H2,1-4H3,(H,31,35)/t20-,21-,22+,23-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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 Inhibition against human thrombin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair

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