Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50013701   

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))	BDBM50133524 (CHEMBL419773 | N-(2-Aminomethyl-5-chloro-benzyl)-2...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O Show InChI InChI=1S/C21H20Cl2F2N6O3/c22-15-5-4-13(8-26)14(7-15)9-27-18(32)11-30-17(23)10-28-19(20(30)33)29-12-21(24,25)16-3-1-2-6-31(16)34/h1-7,10H,8-9,11-12,26H2,(H,27,32)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133529 (CHEMBL420682 | N-(2-Aminomethyl-5-chloro-benzyl)-2...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C23H25ClN4O4S/c1-16-7-10-21(27-33(31,32)15-17-5-3-2-4-6-17)23(30)28(16)14-22(29)26-13-19-11-20(24)9-8-18(19)12-25/h2-11,27H,12-15,25H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133521 (CHEMBL116202 | N-[2-(2-Amino-ethyl)-5-chloro-benzy...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CCN Show InChI InChI=1S/C24H27ClN4O4S/c1-17-7-10-22(28-34(32,33)16-18-5-3-2-4-6-18)24(31)29(17)15-23(30)27-14-20-13-21(25)9-8-19(20)11-12-26/h2-10,13,28H,11-12,14-16,26H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133520 (CHEMBL116258 | N-(2-Aminomethyl-5-chloro-benzyl)-2...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C23H26ClN5O2/c1-16-13-28-22(26-10-9-17-5-3-2-4-6-17)23(31)29(16)15-21(30)27-14-19-11-20(24)8-7-18(19)12-25/h2-8,11,13H,9-10,12,14-15,25H2,1H3,(H,26,28)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50067796 (CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069190 (CHEMBL287614 | N-(1-Carbamimidoyl-piperidin-4-ylme...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H30N6O4S/c1-16-7-8-19(26-33(31,32)15-18-5-3-2-4-6-18)21(30)28(16)14-20(29)25-13-17-9-11-27(12-10-17)22(23)24/h2-8,17,26H,9-15H2,1H3,(H3,23,24)(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
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 Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133528 (3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methyl-2-...) Show SMILES CN(C1CCCC1)C(=O)C(Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2CCCCCc2c1 Show InChI InChI=1S/C27H37N3O3S/c1-30(24-9-5-6-10-24)27(31)26(17-20-11-13-21(19-28)14-12-20)29-34(32,33)25-16-15-22-7-3-2-4-8-23(22)18-25/h11-16,18,24,26,29H,2-10,17,19,28H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133517 ((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1 Show InChI InChI=1S/C22H27ClN4O2/c23-18-9-8-16(13-24)17(12-18)14-26-21(28)20-7-4-10-27(20)22(29)19(25)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,19-20H,4,7,10-11,13-14,24-25H2,(H,26,28)/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133519 (CHEMBL117387 | N-[2-(2-Amino-ethyl)-benzyl]-2-(6-m...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1CCN Show InChI InChI=1S/C24H28N4O4S/c1-18-11-12-22(27-33(31,32)17-19-7-3-2-4-8-19)24(30)28(18)16-23(29)26-15-21-10-6-5-9-20(21)13-14-25/h2-12,27H,13-17,25H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133525 (CHEMBL115643 | N-((trans-4-aminocyclohexyl)methyl)...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1 |wU:24.25,wD:27.29,(9.06,-2.5,;7.71,-3.25,;6.36,-2.48,;5.05,-3.25,;5.05,-4.76,;3.7,-5.53,;2.38,-4.76,;2,-6.25,;2.76,-3.25,;1.04,-4.02,;1.01,-2.48,;-.34,-1.71,;-.37,-.19,;.96,.63,;2.31,-.14,;2.32,-1.68,;6.36,-5.56,;6.36,-7.1,;7.71,-4.79,;9.02,-5.58,;10.36,-4.82,;10.37,-3.28,;11.69,-5.59,;13.03,-4.82,;14.37,-5.61,;15.7,-4.84,;17.03,-5.62,;17.01,-7.16,;18.35,-7.97,;15.66,-7.93,;14.35,-7.15,)| Show InChI InChI=1S/C22H30N4O4S/c1-16-7-12-20(25-31(29,30)15-18-5-3-2-4-6-18)22(28)26(16)14-21(27)24-13-17-8-10-19(23)11-9-17/h2-7,12,17,19,25H,8-11,13-15,23H2,1H3,(H,24,27)/t17-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133526 (CHEMBL116015 | N-(2-Aminomethyl-benzyl)-2-(6-methy...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1CN Show InChI InChI=1S/C23H26N4O4S/c1-17-11-12-21(26-32(30,31)16-18-7-3-2-4-8-18)23(29)27(17)15-22(28)25-14-20-10-6-5-9-19(20)13-24/h2-12,26H,13-16,24H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133516 (3-(4-Aminomethyl-phenyl)-N-cyclopentyl-2-(6-methox...) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NC(Cc1ccc(CN)cc1)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C27H33N3O4S/c1-30(23-5-3-4-6-23)27(31)26(15-19-7-9-20(18-28)10-8-19)29-35(32,33)25-14-12-21-16-24(34-2)13-11-22(21)17-25/h7-14,16-17,23,26,29H,3-6,15,18,28H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					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	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133532 ((S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrroli...) Show SMILES Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)c(C)cc1CN Show InChI InChI=1S/C30H36N4O2/c1-20-17-25(21(2)16-24(20)18-31)19-33-29(35)26-14-9-15-34(26)30(36)28(32)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,16-17,26-28H,9,14-15,18-19,31-32H2,1-2H3,(H,33,35)/t26-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133522 (CHEMBL115755 | N-(4-Aminomethyl-benzyl)-2-(6-methy...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(CN)cc1 Show InChI InChI=1S/C23H26N4O4S/c1-17-7-12-21(26-32(30,31)16-20-5-3-2-4-6-20)23(29)27(17)15-22(28)25-14-19-10-8-18(13-24)9-11-19/h2-12,26H,13-16,24H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133527 ((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...) Show SMILES NCCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1 Show InChI InChI=1S/C23H29ClN4O2/c24-19-9-8-17(10-11-25)18(14-19)15-27-22(29)21-7-4-12-28(21)23(30)20(26)13-16-5-2-1-3-6-16/h1-3,5-6,8-9,14,20-21H,4,7,10-13,15,25-26H2,(H,27,29)/t20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133515 (CHEMBL117365 | N-Benzyl-2-(6-methyl-2-oxo-3-phenyl...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1 Show InChI InChI=1S/C22H23N3O4S/c1-17-12-13-20(24-30(28,29)16-19-10-6-3-7-11-19)22(27)25(17)15-21(26)23-14-18-8-4-2-5-9-18/h2-13,24H,14-16H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133531 ((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...) Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C21H24ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50133533 ((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...) Show SMILES NCc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1 Show InChI InChI=1S/C22H28N4O2/c23-14-17-9-4-5-10-18(17)15-25-21(27)20-11-6-12-26(20)22(28)19(24)13-16-7-2-1-3-8-16/h1-5,7-10,19-20H,6,11-15,23-24H2,(H,25,27)/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133524 (CHEMBL419773 | N-(2-Aminomethyl-5-chloro-benzyl)-2...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O Show InChI InChI=1S/C21H20Cl2F2N6O3/c22-15-5-4-13(8-26)14(7-15)9-27-18(32)11-30-17(23)10-28-19(20(30)33)29-12-21(24,25)16-3-1-2-6-31(16)34/h1-7,10H,8-9,11-12,26H2,(H,27,32)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	415	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133530 (CHEMBL119779 | N-(2-Amino-benzyl)-2-(6-methyl-2-ox...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1N Show InChI InChI=1S/C22H24N4O4S/c1-16-11-12-20(25-31(29,30)15-17-7-3-2-4-8-17)22(28)26(16)14-21(27)24-13-18-9-5-6-10-19(18)23/h2-12,25H,13-15,23H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133523 (CHEMBL117147 | N-(3-Aminomethyl-benzyl)-2-(6-methy...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(CN)c1 Show InChI InChI=1S/C23H26N4O4S/c1-17-10-11-21(26-32(30,31)16-18-6-3-2-4-7-18)23(29)27(17)15-22(28)25-14-20-9-5-8-19(12-20)13-24/h2-12,26H,13-16,24H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50069190 (CHEMBL287614 | N-(1-Carbamimidoyl-piperidin-4-ylme...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H30N6O4S/c1-16-7-8-19(26-33(31,32)15-18-5-3-2-4-6-18)21(30)28(16)14-20(29)25-13-17-9-11-27(12-10-17)22(23)24/h2-8,17,26H,9-15H2,1H3,(H3,23,24)(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133522 (CHEMBL115755 | N-(4-Aminomethyl-benzyl)-2-(6-methy...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(CN)cc1 Show InChI InChI=1S/C23H26N4O4S/c1-17-7-12-21(26-32(30,31)16-20-5-3-2-4-6-20)23(29)27(17)15-22(28)25-14-19-10-8-18(13-24)9-11-19/h2-12,26H,13-16,24H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133520 (CHEMBL116258 | N-(2-Aminomethyl-5-chloro-benzyl)-2...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C23H26ClN5O2/c1-16-13-28-22(26-10-9-17-5-3-2-4-6-17)23(31)29(16)15-21(30)27-14-19-11-20(24)8-7-18(19)12-25/h2-8,11,13H,9-10,12,14-15,25H2,1H3,(H,26,28)(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133529 (CHEMBL420682 | N-(2-Aminomethyl-5-chloro-benzyl)-2...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C23H25ClN4O4S/c1-16-7-10-21(27-33(31,32)15-17-5-3-2-4-6-17)23(30)28(16)14-22(29)26-13-19-11-20(24)9-8-18(19)12-25/h2-11,27H,12-15,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.85E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133525 (CHEMBL115643 | N-((trans-4-aminocyclohexyl)methyl)...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1 |wU:24.25,wD:27.29,(9.06,-2.5,;7.71,-3.25,;6.36,-2.48,;5.05,-3.25,;5.05,-4.76,;3.7,-5.53,;2.38,-4.76,;2,-6.25,;2.76,-3.25,;1.04,-4.02,;1.01,-2.48,;-.34,-1.71,;-.37,-.19,;.96,.63,;2.31,-.14,;2.32,-1.68,;6.36,-5.56,;6.36,-7.1,;7.71,-4.79,;9.02,-5.58,;10.36,-4.82,;10.37,-3.28,;11.69,-5.59,;13.03,-4.82,;14.37,-5.61,;15.7,-4.84,;17.03,-5.62,;17.01,-7.16,;18.35,-7.97,;15.66,-7.93,;14.35,-7.15,)| Show InChI InChI=1S/C22H30N4O4S/c1-16-7-12-20(25-31(29,30)15-18-5-3-2-4-6-18)22(28)26(16)14-21(27)24-13-17-8-10-19(23)11-9-17/h2-7,12,17,19,25H,8-11,13-15,23H2,1H3,(H,24,27)/t17-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50067796 (CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133518 ((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...) Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 Show InChI InChI=1S/C21H25N3O2/c22-18(14-16-8-3-1-4-9-16)21(26)24-13-7-12-19(24)20(25)23-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	4.60E+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 Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine protease 1 (Homo sapiens (Human))	BDBM50133517 ((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1 Show InChI InChI=1S/C22H27ClN4O2/c23-18-9-8-16(13-24)17(12-18)14-26-21(28)20-7-4-10-27(20)22(29)19(25)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,19-20H,4,7,10-11,13-14,24-25H2,(H,26,28)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.20E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133528 (3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methyl-2-...) Show SMILES CN(C1CCCC1)C(=O)C(Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2CCCCCc2c1 Show InChI InChI=1S/C27H37N3O3S/c1-30(24-9-5-6-10-24)27(31)26(17-20-11-13-21(19-28)14-12-20)29-34(32,33)25-16-15-22-7-3-2-4-8-23(22)18-25/h11-16,18,24,26,29H,2-10,17,19,28H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133516 (3-(4-Aminomethyl-phenyl)-N-cyclopentyl-2-(6-methox...) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NC(Cc1ccc(CN)cc1)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C27H33N3O4S/c1-30(23-5-3-4-6-23)27(31)26(15-19-7-9-20(18-28)10-8-19)29-35(32,33)25-14-12-21-16-24(34-2)13-11-22(21)17-25/h7-14,16-17,23,26,29H,3-6,15,18,28H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.42E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133523 (CHEMBL117147 | N-(3-Aminomethyl-benzyl)-2-(6-methy...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(CN)c1 Show InChI InChI=1S/C23H26N4O4S/c1-17-10-11-21(26-32(30,31)16-18-6-3-2-4-7-18)23(29)27(17)15-22(28)25-14-20-9-5-8-19(12-20)13-24/h2-12,26H,13-16,24H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133521 (CHEMBL116202 | N-[2-(2-Amino-ethyl)-5-chloro-benzy...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CCN Show InChI InChI=1S/C24H27ClN4O4S/c1-17-7-10-22(28-34(32,33)16-18-5-3-2-4-6-18)24(31)29(17)15-23(30)27-14-20-13-21(25)9-8-19(20)11-12-26/h2-10,13,28H,11-12,14-16,26H2,1H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133526 (CHEMBL116015 | N-(2-Aminomethyl-benzyl)-2-(6-methy...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1CN Show InChI InChI=1S/C23H26N4O4S/c1-17-11-12-21(26-32(30,31)16-18-7-3-2-4-8-18)23(29)27(17)15-22(28)25-14-20-10-6-5-9-19(20)13-24/h2-12,26H,13-16,24H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133531 ((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...) Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C21H24ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	8.90E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133533 ((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...) Show SMILES NCc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1 Show InChI InChI=1S/C22H28N4O2/c23-14-17-9-4-5-10-18(17)15-25-21(27)20-11-6-12-26(20)22(28)19(24)13-16-7-2-1-3-8-16/h1-5,7-10,19-20H,6,11-15,23-24H2,(H,25,27)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.06E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133527 ((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...) Show SMILES NCCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1 Show InChI InChI=1S/C23H29ClN4O2/c24-19-9-8-17(10-11-25)18(14-19)15-27-22(29)21-7-4-12-28(21)23(30)20(26)13-16-5-2-1-3-6-16/h1-3,5-6,8-9,14,20-21H,4,7,10-13,15,25-26H2,(H,27,29)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.52E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133519 (CHEMBL117387 | N-[2-(2-Amino-ethyl)-benzyl]-2-(6-m...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1CCN Show InChI InChI=1S/C24H28N4O4S/c1-18-11-12-22(27-33(31,32)17-19-7-3-2-4-8-19)24(30)28(18)16-23(29)26-15-21-10-6-5-9-20(21)13-14-25/h2-12,27H,13-17,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.37E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133515 (CHEMBL117365 | N-Benzyl-2-(6-methyl-2-oxo-3-phenyl...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1 Show InChI InChI=1S/C22H23N3O4S/c1-17-12-13-20(24-30(28,29)16-19-10-6-3-7-11-19)22(27)25(17)15-21(26)23-14-18-8-4-2-5-9-18/h2-13,24H,14-16H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.66E+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 Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133530 (CHEMBL119779 | N-(2-Amino-benzyl)-2-(6-methyl-2-ox...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1N Show InChI InChI=1S/C22H24N4O4S/c1-16-11-12-20(25-31(29,30)15-17-7-3-2-4-8-17)22(28)26(16)14-21(27)24-13-18-9-5-6-10-19(18)23/h2-12,25H,13-15,23H2,1H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50133518 ((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...) Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 Show InChI InChI=1S/C21H25N3O2/c22-18(14-16-8-3-1-4-9-16)21(26)24-13-7-12-19(24)20(25)23-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25)/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against trypsin				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair