Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'ha-uong' and Initial = 't'   

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))	BDBM50054502 (CHEMBL140494 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H31N5O5S/c22-20(23)15-8-4-9-16(19(15)28)24-18(27)12-26-11-5-10-17(21(26)29)25-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19,25,28H,4-5,8-13H2,(H3,22,23)(H,24,27)/t15?,16-,17-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description compound was tested in vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076074 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2cccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1O Show InChI InChI=1S/C20H26N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15,19,24,29H,5,8,11-13H2,(H3,21,22)(H,23,27)/t15-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.505	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054498 ((R)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC(C1O)C(N)=N Show InChI InChI=1S/C22H33N5O3/c1-25-17(13-14-7-3-2-4-8-14)22(30)27-12-6-11-18(27)21(29)26-16-10-5-9-15(19(16)28)20(23)24/h2-4,7-8,15-19,25,28H,5-6,9-13H2,1H3,(H3,23,24)(H,26,29)/t15?,16-,17+,18+,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054493 (CHEMBL343805 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C22H33N5O5S/c23-21(24)16-9-6-11-17(20(16)29)25-19(28)13-27-12-5-4-10-18(22(27)30)26-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-18,20,26,29H,4-6,9-14H2,(H3,23,24)(H,25,28)/t16?,17-,18-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054492 ((S)-4-[(R)-2-((S)-3-Carbamimidoyl-2-hydroxy-cycloh...) Show SMILES CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC(C1O)C(N)=N Show InChI InChI=1S/C25H43N5O6/c1-4-8-15(9-5-2)23(33)29-18(14-20(31)36-3)25(35)30-13-7-12-19(30)24(34)28-17-11-6-10-16(21(17)32)22(26)27/h15-19,21,32H,4-14H2,1-3H3,(H3,26,27)(H,28,34)(H,29,33)/t16?,17-,18-,19+,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054494 (2-({(S)-1-[((S)-3-Carbamimidoyl-2-hydroxy-cyclohex...) Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H]1CCCCN(CC(=O)N[C@H]2CCCC(C2O)C(N)=N)C1=O Show InChI InChI=1S/C24H35N5O7S/c1-36-24(33)16-8-3-2-7-15(16)14-37(34,35)28-19-10-4-5-12-29(23(19)32)13-20(30)27-18-11-6-9-17(21(18)31)22(25)26/h2-3,7-8,17-19,21,28,31H,4-6,9-14H2,1H3,(H3,25,26)(H,27,30)/t17?,18-,19-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50054492 ((S)-4-[(R)-2-((S)-3-Carbamimidoyl-2-hydroxy-cycloh...) Show SMILES CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC(C1O)C(N)=N Show InChI InChI=1S/C25H43N5O6/c1-4-8-15(9-5-2)23(33)29-18(14-20(31)36-3)25(35)30-13-7-12-19(30)24(34)28-17-11-6-10-16(21(17)32)22(26)27/h15-19,21,32H,4-14H2,1-3H3,(H3,26,27)(H,28,34)(H,29,33)/t16?,17-,18-,19+,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50054498 ((R)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC(C1O)C(N)=N Show InChI InChI=1S/C22H33N5O3/c1-25-17(13-14-7-3-2-4-8-14)22(30)27-12-6-11-18(27)21(29)26-16-10-5-9-15(19(16)28)20(23)24/h2-4,7-8,15-19,25,28H,5-6,9-13H2,1H3,(H3,23,24)(H,26,29)/t15?,16-,17+,18+,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076073 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16?,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054502 (CHEMBL140494 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H31N5O5S/c22-20(23)15-8-4-9-16(19(15)28)24-18(27)12-26-11-5-10-17(21(26)29)25-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19,25,28H,4-5,8-13H2,(H3,22,23)(H,24,27)/t15?,16-,17-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076070 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES CS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C22H30N6O5S/c1-34(32,33)26-19-16(10-9-15-6-3-2-4-7-15)11-13-27(21(19)31)14-18(29)25-17-8-5-12-28(20(17)30)22(23)24/h2-4,6-7,11,13,17,20,26,30H,5,8-10,12,14H2,1H3,(H3,23,24)(H,25,29)/t17-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054504 (2-((S)-3-Benzenesulfonylamino-2-oxo-azepan-1-yl)-N...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H31N5O5S/c22-20(23)15-9-6-11-16(19(15)28)24-18(27)13-26-12-5-4-10-17(21(26)29)25-32(30,31)14-7-2-1-3-8-14/h1-3,7-8,15-17,19,25,28H,4-6,9-13H2,(H3,22,23)(H,24,27)/t15?,16-,17-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.2	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50054504 (2-((S)-3-Benzenesulfonylamino-2-oxo-azepan-1-yl)-N...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H31N5O5S/c22-20(23)15-9-6-11-16(19(15)28)24-18(27)13-26-12-5-4-10-17(21(26)29)25-32(30,31)14-7-2-1-3-8-14/h1-3,7-8,15-17,19,25,28H,4-6,9-13H2,(H3,22,23)(H,24,27)/t15?,16-,17-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.6	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50054493 (CHEMBL343805 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C22H33N5O5S/c23-21(24)16-9-6-11-17(20(16)29)25-19(28)13-27-12-5-4-10-18(22(27)30)26-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-18,20,26,29H,4-6,9-14H2,(H3,23,24)(H,25,28)/t16?,17-,18-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.6	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Coagulation factor X				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50076074 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2cccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1O Show InChI InChI=1S/C20H26N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15,19,24,29H,5,8,11-13H2,(H3,21,22)(H,23,27)/t15-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, Factor Xa cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50076074 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2cccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1O Show InChI InChI=1S/C20H26N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15,19,24,29H,5,8,11-13H2,(H3,21,22)(H,23,27)/t15-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076069 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES CNS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C22H31N7O5S/c1-25-35(33,34)27-19-16(10-9-15-6-3-2-4-7-15)11-13-28(21(19)32)14-18(30)26-17-8-5-12-29(20(17)31)22(23)24/h2-4,6-7,11,13,17,20,25,27,31H,5,8-10,12,14H2,1H3,(H3,23,24)(H,26,30)/t17-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50054493 (CHEMBL343805 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C22H33N5O5S/c23-21(24)16-9-6-11-17(20(16)29)25-19(28)13-27-12-5-4-10-18(22(27)30)26-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-18,20,26,29H,4-6,9-14H2,(H3,23,24)(H,25,28)/t16?,17-,18-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74.5	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076068 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)c3ccccc3)c2=O)C1O Show InChI InChI=1S/C27H32N6O5S/c28-27(29)33-16-7-12-22(25(33)35)30-23(34)18-32-17-15-20(14-13-19-8-3-1-4-9-19)24(26(32)36)31-39(37,38)21-10-5-2-6-11-21/h1-6,8-11,15,17,22,25,31,35H,7,12-14,16,18H2,(H3,28,29)(H,30,34)/t22-,25?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50076069 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES CNS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C22H31N7O5S/c1-25-35(33,34)27-19-16(10-9-15-6-3-2-4-7-15)11-13-28(21(19)32)14-18(30)26-17-8-5-12-29(20(17)31)22(23)24/h2-4,6-7,11,13,17,20,25,27,31H,5,8-10,12,14H2,1H3,(H3,23,24)(H,26,30)/t17-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054503 (CHEMBL263924 | N-((1S,2R)-3-Carbamimidoyl-2-hydrox...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)c3cccc4ccccc34)C2=O)[C@@H]1O Show InChI InChI=1S/C24H31N5O5S/c25-23(26)17-9-4-10-18(22(17)31)27-21(30)14-29-13-5-11-19(24(29)32)28-35(33,34)20-12-3-7-15-6-1-2-8-16(15)20/h1-3,6-8,12,17-19,22,28,31H,4-5,9-11,13-14H2,(H3,25,26)(H,27,30)/t17?,18-,19-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054505 (CHEMBL421760 | N-(3-Carbamimidoyl-2-hydroxy-cycloh...) Show SMILES NC(=N)C1CCCC(NC(=O)CN2CC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H29N5O5S/c21-19(22)14-7-4-8-15(18(14)27)23-17(26)11-25-10-9-16(20(25)28)24-31(29,30)12-13-5-2-1-3-6-13/h1-3,5-6,14-16,18,24,27H,4,7-12H2,(H3,21,22)(H,23,26)/t14?,15?,16-,18?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description compound was tested in vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50076070 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES CS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C22H30N6O5S/c1-34(32,33)26-19-16(10-9-15-6-3-2-4-7-15)11-13-27(21(19)31)14-18(29)25-17-8-5-12-28(20(17)30)22(23)24/h2-4,6-7,11,13,17,20,26,30H,5,8-10,12,14H2,1H3,(H3,23,24)(H,25,29)/t17-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50054494 (2-({(S)-1-[((S)-3-Carbamimidoyl-2-hydroxy-cyclohex...) Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H]1CCCCN(CC(=O)N[C@H]2CCCC(C2O)C(N)=N)C1=O Show InChI InChI=1S/C24H35N5O7S/c1-36-24(33)16-8-3-2-7-15(16)14-37(34,35)28-19-10-4-5-12-29(23(19)32)13-20(30)27-18-11-6-9-17(21(18)31)22(25)26/h2-3,7-8,17-19,21,28,31H,4-6,9-14H2,1H3,(H3,25,26)(H,27,30)/t17?,18-,19-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50054495 (CHEMBL422470 | Lactum Sulfonamide analogue) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)NC3CCCCC3)C2=O)C1O Show InChI InChI=1S/C20H36N6O5S/c21-19(22)14-8-4-9-15(18(14)28)23-17(27)12-26-11-5-10-16(20(26)29)25-32(30,31)24-13-6-2-1-3-7-13/h13-16,18,24-25,28H,1-12H2,(H3,21,22)(H,23,27)/t14?,15-,16-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054489 (CHEMBL139656 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H31N5O5S/c22-20(23)15-8-4-9-16(19(15)28)24-18(27)12-26-11-5-10-17(21(26)29)25-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19,25,28H,4-5,8-13H2,(H3,22,23)(H,24,27)/t15?,16-,17+,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054491 (2-((S)-3-Benzenesulfonylamino-2-oxo-piperidin-1-yl...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H29N5O5S/c21-19(22)14-8-4-9-15(18(14)27)23-17(26)12-25-11-5-10-16(20(25)28)24-31(29,30)13-6-2-1-3-7-13/h1-3,6-7,14-16,18,24,27H,4-5,8-12H2,(H3,21,22)(H,23,26)/t14?,15-,16-,18?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50076068 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)c3ccccc3)c2=O)C1O Show InChI InChI=1S/C27H32N6O5S/c28-27(29)33-16-7-12-22(25(33)35)30-23(34)18-32-17-15-20(14-13-19-8-3-1-4-9-19)24(26(32)36)31-39(37,38)21-10-5-2-6-11-21/h1-6,8-11,15,17,22,25,31,35H,7,12-14,16,18H2,(H3,28,29)(H,30,34)/t22-,25?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076071 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)CC(F)(F)F)c2=O)C1O Show InChI InChI=1S/C23H29F3N6O5S/c24-23(25,26)14-38(36,37)30-19-16(9-8-15-5-2-1-3-6-15)10-12-31(21(19)35)13-18(33)29-17-7-4-11-32(20(17)34)22(27)28/h1-3,5-6,10,12,17,20,30,34H,4,7-9,11,13-14H2,(H3,27,28)(H,29,33)/t17-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076066 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES CS(=O)(=O)Nc1c(CCCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C23H32N6O5S/c1-35(33,34)27-20-17(10-5-9-16-7-3-2-4-8-16)12-14-28(22(20)32)15-19(30)26-18-11-6-13-29(21(18)31)23(24)25/h2-4,7-8,12,14,18,21,27,31H,5-6,9-11,13,15H2,1H3,(H3,24,25)(H,26,30)/t18-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054495 (CHEMBL422470 | Lactum Sulfonamide analogue) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)NC3CCCCC3)C2=O)C1O Show InChI InChI=1S/C20H36N6O5S/c21-19(22)14-8-4-9-15(18(14)28)23-17(27)12-26-11-5-10-16(20(26)29)25-32(30,31)24-13-6-2-1-3-7-13/h13-16,18,24-25,28H,1-12H2,(H3,21,22)(H,23,27)/t14?,15-,16-,18?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50076069 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES CNS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C22H31N7O5S/c1-25-35(33,34)27-19-16(10-9-15-6-3-2-4-7-15)11-13-28(21(19)32)14-18(30)26-17-8-5-12-29(20(17)31)22(23)24/h2-4,6-7,11,13,17,20,25,27,31H,5,8-10,12,14H2,1H3,(H3,23,24)(H,26,30)/t17-,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, Plasmin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076067 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES CS(=O)(=O)Nc1c(CCC2CCCCC2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C22H36N6O5S/c1-34(32,33)26-19-16(10-9-15-6-3-2-4-7-15)11-13-27(21(19)31)14-18(29)25-17-8-5-12-28(20(17)30)22(23)24/h11,13,15,17,20,26,30H,2-10,12,14H2,1H3,(H3,23,24)(H,25,29)/t17-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50076067 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES CS(=O)(=O)Nc1c(CCC2CCCCC2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C22H36N6O5S/c1-34(32,33)26-19-16(10-9-15-6-3-2-4-7-15)11-13-27(21(19)31)14-18(29)25-17-8-5-12-28(20(17)30)22(23)24/h11,13,15,17,20,26,30H,2-10,12,14H2,1H3,(H3,23,24)(H,25,29)/t17-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054499 (CHEMBL334454 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES CC(N1CCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)N[C@H]1CCCC(C1O)C(N)=N Show InChI InChI=1S/C22H33N5O5S/c1-14(21(29)25-17-10-5-9-16(19(17)28)20(23)24)27-12-6-11-18(22(27)30)26-33(31,32)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,26,28H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)/t14?,16?,17-,18-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	286	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50054492 ((S)-4-[(R)-2-((S)-3-Carbamimidoyl-2-hydroxy-cycloh...) Show SMILES CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC(C1O)C(N)=N Show InChI InChI=1S/C25H43N5O6/c1-4-8-15(9-5-2)23(33)29-18(14-20(31)36-3)25(35)30-13-7-12-19(30)24(34)28-17-11-6-10-16(21(17)32)22(26)27/h15-19,21,32H,4-14H2,1-3H3,(H3,26,27)(H,28,34)(H,29,33)/t16?,17-,18-,19+,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Coagulation factor X				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Anionic trypsin (Bos taurus)	BDBM50054499 (CHEMBL334454 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES CC(N1CCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)N[C@H]1CCCC(C1O)C(N)=N Show InChI InChI=1S/C22H33N5O5S/c1-14(21(29)25-17-10-5-9-16(19(17)28)20(23)24)27-12-6-11-18(22(27)30)26-33(31,32)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,26,28H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)/t14?,16?,17-,18-,19?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	293	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description compound was tested in vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054490 (CHEMBL138243 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)CCc3ccccc3)C2=O)C1O Show InChI InChI=1S/C22H33N5O5S/c23-21(24)16-8-4-9-17(20(16)29)25-19(28)14-27-12-5-10-18(22(27)30)26-33(31,32)13-11-15-6-2-1-3-7-15/h1-3,6-7,16-18,20,26,29H,4-5,8-14H2,(H3,23,24)(H,25,28)/t16?,17-,18-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50054489 (CHEMBL139656 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H31N5O5S/c22-20(23)15-8-4-9-16(19(15)28)24-18(27)12-26-11-5-10-17(21(26)29)25-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19,25,28H,4-5,8-13H2,(H3,22,23)(H,24,27)/t15?,16-,17+,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	467	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50054494 (2-({(S)-1-[((S)-3-Carbamimidoyl-2-hydroxy-cyclohex...) Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H]1CCCCN(CC(=O)N[C@H]2CCCC(C2O)C(N)=N)C1=O Show InChI InChI=1S/C24H35N5O7S/c1-36-24(33)16-8-3-2-7-15(16)14-37(34,35)28-19-10-4-5-12-29(23(19)32)13-20(30)27-18-11-6-9-17(21(18)31)22(25)26/h2-3,7-8,17-19,21,28,31H,4-6,9-14H2,1H3,(H3,25,26)(H,27,30)/t17?,18-,19-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	471	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Coagulation factor X				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076072 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES CC(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C23H30N6O4/c1-15(30)26-20-17(10-9-16-6-3-2-4-7-16)11-13-28(22(20)33)14-19(31)27-18-8-5-12-29(21(18)32)23(24)25/h2-4,6-7,11,13,18,21,32H,5,8-10,12,14H2,1H3,(H3,24,25)(H,26,30)(H,27,31)/t18-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	472	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50054504 (2-((S)-3-Benzenesulfonylamino-2-oxo-azepan-1-yl)-N...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H31N5O5S/c22-20(23)15-9-6-11-16(19(15)28)24-18(27)13-26-12-5-4-10-17(21(26)29)25-32(30,31)14-7-2-1-3-8-14/h1-3,7-8,15-17,19,25,28H,4-6,9-13H2,(H3,22,23)(H,24,27)/t15?,16-,17-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Coagulation factor X				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50076066 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES CS(=O)(=O)Nc1c(CCCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C23H32N6O5S/c1-35(33,34)27-20-17(10-5-9-16-7-3-2-4-8-16)12-14-28(22(20)32)15-19(30)26-18-11-6-13-29(21(18)31)23(24)25/h2-4,7-8,12,14,18,21,27,31H,5-6,9-11,13,15H2,1H3,(H3,24,25)(H,26,30)/t18-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Anionic trypsin (Bos taurus)	BDBM50054505 (CHEMBL421760 | N-(3-Carbamimidoyl-2-hydroxy-cycloh...) Show SMILES NC(=N)C1CCCC(NC(=O)CN2CC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H29N5O5S/c21-19(22)14-7-4-8-15(18(14)27)23-17(26)11-25-10-9-16(20(25)28)24-31(29,30)12-13-5-2-1-3-6-13/h1-3,5-6,14-16,18,24,27H,4,7-12H2,(H3,21,22)(H,23,26)/t14?,15?,16-,18?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	538	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description compound was tested in vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054501 (2-[(S)-3-(Butane-1-sulfonylamino)-2-oxo-piperidin-...) Show SMILES CCCCS(=O)(=O)N[C@H]1CCCN(CC(=O)N[C@H]2CCCC(C2O)C(N)=N)C1=O Show InChI InChI=1S/C18H33N5O5S/c1-2-3-10-29(27,28)22-14-8-5-9-23(18(14)26)11-15(24)21-13-7-4-6-12(16(13)25)17(19)20/h12-14,16,22,25H,2-11H2,1H3,(H3,19,20)(H,21,24)/t12?,13-,14-,16?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	709	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50054491 (2-((S)-3-Benzenesulfonylamino-2-oxo-piperidin-1-yl...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H29N5O5S/c21-19(22)14-8-4-9-15(18(14)27)23-17(26)12-25-11-5-10-16(20(25)28)24-31(29,30)13-6-2-1-3-7-13/h1-3,6-7,14-16,18,24,27H,4-5,8-12H2,(H3,21,22)(H,23,26)/t14?,15-,16-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50076073 (1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16?,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	791	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate				Bioorg Med Chem Lett 9: 895-900 (1999) BindingDB Entry DOI: 10.7270/Q2NS0T3Q
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50054502 (CHEMBL140494 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H31N5O5S/c22-20(23)15-8-4-9-16(19(15)28)24-18(27)12-26-11-5-10-17(21(26)29)25-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19,25,28H,4-5,8-13H2,(H3,22,23)(H,24,27)/t15?,16-,17-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	791	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Anionic trypsin (Bos taurus)	BDBM50054503 (CHEMBL263924 | N-((1S,2R)-3-Carbamimidoyl-2-hydrox...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)c3cccc4ccccc34)C2=O)[C@@H]1O Show InChI InChI=1S/C24H31N5O5S/c25-23(26)17-9-4-10-18(22(17)31)27-21(30)14-29-13-5-11-19(24(29)32)28-35(33,34)20-12-3-7-15-6-1-2-8-16(15)20/h1-3,6-8,12,17-19,22,28,31H,4-5,9-11,13-14H2,(H3,25,26)(H,27,30)/t17?,18-,19-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description compound was tested in vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50054491 (2-((S)-3-Benzenesulfonylamino-2-oxo-piperidin-1-yl...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H29N5O5S/c21-19(22)14-8-4-9-15(18(14)27)23-17(26)12-25-11-5-10-16(20(25)28)24-31(29,30)13-6-2-1-3-7-13/h1-3,6-7,14-16,18,24,27H,4-5,8-12H2,(H3,21,22)(H,23,26)/t14?,15-,16-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Coagulation factor X				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair

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