Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50012739   

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))	BDBM50122190 (CHEMBL296737 | N-(5-chloro-2-ethylcarbamoylmethoxy...) Show SMILES CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O Show InChI InChI=1S/C26H29ClN4O6S/c1-3-28-25(33)16-37-23-12-10-21(27)13-20(23)14-29-24(32)15-31-18(2)9-11-22(26(31)34)30-38(35,36)17-19-7-5-4-6-8-19/h4-13,30H,3,14-17H2,1-2H3,(H,28,33)(H,29,32)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50122183 (CHEMBL431524 | N-(5-Chloro-2-ethylcarbamoylmethoxy...) Show SMILES CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O Show InChI InChI=1S/C26H30ClN5O4/c1-3-28-24(34)17-36-22-10-9-21(27)13-20(22)15-30-23(33)16-32-18(2)14-31-25(26(32)35)29-12-11-19-7-5-4-6-8-19/h4-10,13-14H,3,11-12,15-17H2,1-2H3,(H,28,34)(H,29,31)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066334 ((S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidin...) Show SMILES CCNC(=O)COc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1 Show InChI InChI=1S/C24H35ClN4O4/c1-2-27-21(30)15-33-20-11-10-18(25)13-17(20)14-28-23(31)19-9-6-12-29(19)24(32)22(26)16-7-4-3-5-8-16/h10-11,13,16,19,22H,2-9,12,14-15,26H2,1H3,(H,27,30)(H,28,31)/t19-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50067797 (CHEMBL19080 | L-37378 | N-(6-Amino-2-methyl-pyridi...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O Show InChI InChI=1S/C22H26N6O2/c1-15-12-26-21(24-11-10-17-6-4-3-5-7-17)22(30)28(15)14-20(29)25-13-18-8-9-19(23)27-16(18)2/h3-9,12H,10-11,13-14H2,1-2H3,(H2,23,27)(H,24,26)(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066336 ((S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidin...) Show SMILES N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl Show InChI InChI=1S/C20H27Cl2N3O2/c21-15-8-9-16(22)14(11-15)12-24-19(26)17-7-4-10-25(17)20(27)18(23)13-5-2-1-3-6-13/h8-9,11,13,17-18H,1-7,10,12,23H2,(H,24,26)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50122184 (CHEMBL296041 | N-(3-Chloro-benzyl)-2-(6-methyl-2-o...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O4S/c1-16-10-11-20(25-31(29,30)15-17-6-3-2-4-7-17)22(28)26(16)14-21(27)24-13-18-8-5-9-19(23)12-18/h2-12,25H,13-15H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50122186 (2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl-2H-pyr...) Show SMILES CN(C)CCCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F Show InChI InChI=1S/C23H29ClF3N5O4/c1-14-9-17(23(25,26)27)21(28)22(35)32(14)12-19(33)30-11-15-10-16(24)5-6-18(15)36-13-20(34)29-7-4-8-31(2)3/h5-6,9-10H,4,7-8,11-13,28H2,1-3H3,(H,29,34)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50122187 (2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl-2H-pyr...) Show SMILES CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F Show InChI InChI=1S/C20H22ClF3N4O4/c1-3-26-17(30)10-32-15-5-4-13(21)7-12(15)8-27-16(29)9-28-11(2)6-14(20(22,23)24)18(25)19(28)31/h4-7H,3,8-10,25H2,1-2H3,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50122181 (2-(3-Amino-6-methyl-2-oxo-2H-pyrazin-1-yl)-N-(5-ch...) Show SMILES CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(N)c1=O Show InChI InChI=1S/C18H22ClN5O4/c1-3-21-16(26)10-28-14-5-4-13(19)6-12(14)8-22-15(25)9-24-11(2)7-23-17(20)18(24)27/h4-7H,3,8-10H2,1-2H3,(H2,20,23)(H,21,26)(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50122185 (2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl-2H-pyr...) Show SMILES CNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F Show InChI InChI=1S/C19H20ClF3N4O4/c1-10-5-13(19(21,22)23)17(24)18(30)27(10)8-15(28)26-7-11-6-12(20)3-4-14(11)31-9-16(29)25-2/h3-6H,7-9,24H2,1-2H3,(H,25,29)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50122180 (2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl-2H-pyr...) Show SMILES CN(C)CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F Show InChI InChI=1S/C22H27ClF3N5O4/c1-13-8-16(22(24,25)26)20(27)21(34)31(13)11-18(32)29-10-14-9-15(23)4-5-17(14)35-12-19(33)28-6-7-30(2)3/h4-5,8-9H,6-7,10-12,27H2,1-3H3,(H,28,33)(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50122188 (CHEMBL42091 | N-(2,5-Dichloro-benzyl)-2-(6-methyl-...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1Cl Show InChI InChI=1S/C22H21Cl2N3O4S/c1-15-7-10-20(26-32(30,31)14-16-5-3-2-4-6-16)22(29)27(15)13-21(28)25-12-17-11-18(23)8-9-19(17)24/h2-11,26H,12-14H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50122182 (2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl-2H-pyr...) Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)C(F)(F)F Show InChI InChI=1S/C16H18F3N5O2/c1-8-5-11(16(17,18)19)14(21)15(26)24(8)7-13(25)22-6-10-3-4-12(20)23-9(10)2/h3-5H,6-7,21H2,1-2H3,(H2,20,23)(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50122189 (2-(3-Amino-6-methyl-2-oxo-2H-pyrazin-1-yl)-N-(6-am...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(N)c1=O Show InChI InChI=1S/C14H18N6O2/c1-8-5-18-13(16)14(22)20(8)7-12(21)17-6-10-3-4-11(15)19-9(10)2/h3-5H,6-7H2,1-2H3,(H2,15,19)(H2,16,18)(H,17,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50122183 (CHEMBL431524 | N-(5-Chloro-2-ethylcarbamoylmethoxy...) Show SMILES CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O Show InChI InChI=1S/C26H30ClN5O4/c1-3-28-24(34)17-36-22-10-9-21(27)13-20(22)15-30-23(33)16-32-18(2)14-31-25(26(32)35)29-12-11-19-7-5-4-6-8-19/h4-10,13-14H,3,11-12,15-17H2,1-2H3,(H,28,34)(H,29,31)(H,30,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50067797 (CHEMBL19080 | L-37378 | N-(6-Amino-2-methyl-pyridi...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O Show InChI InChI=1S/C22H26N6O2/c1-15-12-26-21(24-11-10-17-6-4-3-5-7-17)22(30)28(15)14-20(29)25-13-18-8-9-19(23)27-16(18)2/h3-9,12H,10-11,13-14H2,1-2H3,(H2,23,27)(H,24,26)(H,25,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50122190 (CHEMBL296737 | N-(5-chloro-2-ethylcarbamoylmethoxy...) Show SMILES CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O Show InChI InChI=1S/C26H29ClN4O6S/c1-3-28-25(33)16-37-23-12-10-21(27)13-20(23)14-29-24(32)15-31-18(2)9-11-22(26(31)34)30-38(35,36)17-19-7-5-4-6-8-19/h4-13,30H,3,14-17H2,1-2H3,(H,28,33)(H,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50122191 (2-(2-{[2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl...) Show SMILES CN(C)C(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F Show InChI InChI=1S/C20H22ClF3N4O4/c1-11-6-14(20(22,23)24)18(25)19(31)28(11)9-16(29)26-8-12-7-13(21)4-5-15(12)32-10-17(30)27(2)3/h4-7H,8-10,25H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50122185 (2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl-2H-pyr...) Show SMILES CNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F Show InChI InChI=1S/C19H20ClF3N4O4/c1-10-5-13(19(21,22)23)17(24)18(30)27(10)8-15(28)26-7-11-6-12(20)3-4-14(11)31-9-16(29)25-2/h3-6H,7-9,24H2,1-2H3,(H,25,29)(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50122181 (2-(3-Amino-6-methyl-2-oxo-2H-pyrazin-1-yl)-N-(5-ch...) Show SMILES CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(N)c1=O Show InChI InChI=1S/C18H22ClN5O4/c1-3-21-16(26)10-28-14-5-4-13(19)6-12(14)8-22-15(25)9-24-11(2)7-23-17(20)18(24)27/h4-7H,3,8-10H2,1-2H3,(H2,20,23)(H,21,26)(H,22,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50122187 (2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl-2H-pyr...) Show SMILES CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F Show InChI InChI=1S/C20H22ClF3N4O4/c1-3-26-17(30)10-32-15-5-4-13(21)7-12(15)8-27-16(29)9-28-11(2)6-14(20(22,23)24)18(25)19(28)31/h4-7H,3,8-10,25H2,1-2H3,(H,26,30)(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50122186 (2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl-2H-pyr...) Show SMILES CN(C)CCCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F Show InChI InChI=1S/C23H29ClF3N5O4/c1-14-9-17(23(25,26)27)21(28)22(35)32(14)12-19(33)30-11-15-10-16(24)5-6-18(15)36-13-20(34)29-7-4-8-31(2)3/h5-6,9-10H,4,7-8,11-13,28H2,1-3H3,(H,29,34)(H,30,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50122180 (2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl-2H-pyr...) Show SMILES CN(C)CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F Show InChI InChI=1S/C22H27ClF3N5O4/c1-13-8-16(22(24,25)26)20(27)21(34)31(13)11-18(32)29-10-14-9-15(23)4-5-17(14)35-12-19(33)28-6-7-30(2)3/h4-5,8-9H,6-7,10-12,27H2,1-3H3,(H,28,33)(H,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50122182 (2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl-2H-pyr...) Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)C(F)(F)F Show InChI InChI=1S/C16H18F3N5O2/c1-8-5-11(16(17,18)19)14(21)15(26)24(8)7-13(25)22-6-10-3-4-12(20)23-9(10)2/h3-5H,6-7,21H2,1-2H3,(H2,20,23)(H,22,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50122184 (CHEMBL296041 | N-(3-Chloro-benzyl)-2-(6-methyl-2-o...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O4S/c1-16-10-11-20(25-31(29,30)15-17-6-3-2-4-7-17)22(28)26(16)14-21(27)24-13-18-8-5-9-19(23)12-18/h2-12,25H,13-15H2,1H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50122189 (2-(3-Amino-6-methyl-2-oxo-2H-pyrazin-1-yl)-N-(6-am...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(N)c1=O Show InChI InChI=1S/C14H18N6O2/c1-8-5-18-13(16)14(22)20(8)7-12(21)17-6-10-3-4-11(15)19-9(10)2/h3-5H,6-7H2,1-2H3,(H2,15,19)(H2,16,18)(H,17,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50066334 ((S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidin...) Show SMILES CCNC(=O)COc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1 Show InChI InChI=1S/C24H35ClN4O4/c1-2-27-21(30)15-33-20-11-10-18(25)13-17(20)14-28-23(31)19-9-6-12-29(19)24(32)22(26)16-7-4-3-5-8-16/h10-11,13,16,19,22H,2-9,12,14-15,26H2,1H3,(H,27,30)(H,28,31)/t19-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50066336 ((S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidin...) Show SMILES N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl Show InChI InChI=1S/C20H27Cl2N3O2/c21-15-8-9-16(22)14(11-15)12-24-19(26)17-7-4-10-25(17)20(27)18(23)13-5-2-1-3-6-13/h8-9,11,13,17-18H,1-7,10,12,23H2,(H,24,26)/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50122188 (CHEMBL42091 | N-(2,5-Dichloro-benzyl)-2-(6-methyl-...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1Cl Show InChI InChI=1S/C22H21Cl2N3O4S/c1-15-7-10-20(26-32(30,31)14-16-5-3-2-4-6-16)22(29)27(15)13-21(28)25-12-17-11-18(23)8-9-19(17)24/h2-11,26H,12-14H2,1H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50122191 (2-(2-{[2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl...) Show SMILES CN(C)C(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F Show InChI InChI=1S/C20H22ClF3N4O4/c1-11-6-14(20(22,23)24)18(25)19(31)28(11)9-16(29)26-8-12-7-13(21)4-5-15(12)32-10-17(30)27(2)3/h4-7H,8-10,25H2,1-3H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypsin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair