Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'anderson' and Initial = 'sm'   

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))	BDBM50111728 (4-Fluoro-2-({1-[((R)-1-formyl-4-guanidino-butylcar...) Show SMILES COC(=O)c1ccc(F)cc1CS(=O)(=O)Nc1ccc(C)n(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)c1=O Show InChI InChI=1S/C23H29FN6O8S/c1-13-5-8-17(29-39(36,37)12-14-10-15(24)6-7-16(14)22(35)38-2)20(32)30(13)11-19(31)28-18(21(33)34)4-3-9-27-23(25)26/h5-8,10,18,29H,3-4,9,11-12H2,1-2H3,(H,28,31)(H,33,34)(H4,25,26,27)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111741 (CHEMBL19666 | N-(5-Carbamimidoyl-thiophen-2-ylmeth...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(s1)C(N)=N Show InChI InChI=1S/C21H23N5O4S2/c1-14-7-9-17(25-32(29,30)13-15-5-3-2-4-6-15)21(28)26(14)12-19(27)24-11-16-8-10-18(31-16)20(22)23/h2-10,25H,11-13H2,1H3,(H3,22,23)(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111729 (CHEMBL277695 | N-(5-Carbamimidoyl-thiophen-2-ylmet...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(s1)C(N)=N Show InChI InChI=1S/C21H24N6O2S/c1-14-11-26-20(24-10-9-15-5-3-2-4-6-15)21(29)27(14)13-18(28)25-12-16-7-8-17(30-16)19(22)23/h2-8,11H,9-10,12-13H2,1H3,(H3,22,23)(H,24,26)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111730 (2-[3-(2-Fluoro-phenylmethanesulfonylamino)-6-methy...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2F)c(=O)n1CC(=O)N[C@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C21H27FN6O6S/c1-13-8-9-16(27-35(33,34)12-14-5-2-3-6-15(14)22)19(30)28(13)11-18(29)26-17(20(31)32)7-4-10-25-21(23)24/h2-3,5-6,8-9,17,27H,4,7,10-12H2,1H3,(H,26,29)(H,31,32)(H4,23,24,25)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111724 (CHEMBL19731 | N-(4-Carbamimidoyl-benzyl)-2-(6-meth...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C23H25N5O4S/c1-16-7-12-20(27-33(31,32)15-18-5-3-2-4-6-18)23(30)28(16)14-21(29)26-13-17-8-10-19(11-9-17)22(24)25/h2-12,27H,13-15H2,1H3,(H3,24,25)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111717 (2-[3-(2-Fluoro-phenylmethanesulfonylamino)-2-oxo-2...) Show SMILES NC(=N)NCCC[C@@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2F)c1=O)C(O)=O Show InChI InChI=1S/C20H25FN6O6S/c21-14-6-2-1-5-13(14)12-34(32,33)26-15-8-4-10-27(18(15)29)11-17(28)25-16(19(30)31)7-3-9-24-20(22)23/h1-2,4-6,8,10,16,26H,3,7,9,11-12H2,(H,25,28)(H,30,31)(H4,22,23,24)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111726 (CHEMBL19359 | N-(4-Carbamimidoyl-benzyl)-2-(6-meth...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C23H26N6O2/c1-16-13-28-22(26-12-11-17-5-3-2-4-6-17)23(31)29(16)15-20(30)27-14-18-7-9-19(10-8-18)21(24)25/h2-10,13H,11-12,14-15H2,1H3,(H3,24,25)(H,26,28)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					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	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					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	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111739 (CHEMBL19811 | N-((S)-2-Amino-1,4,5,6-tetrahydro-py...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC[C@@H]1CNC(N)=NC1 |c:30| Show InChI InChI=1S/C20H26N6O4S/c1-14-7-8-17(25-31(29,30)13-15-5-3-2-4-6-15)19(28)26(14)12-18(27)22-9-16-10-23-20(21)24-11-16/h2-8,16,25H,9-13H2,1H3,(H,22,27)(H3,21,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111738 (CHEMBL274968 | N-((4R,5S)-2-Amino-4-methyl-1,4,5,6...) Show SMILES C[C@H]1N=C(N)NC[C@H]1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O |t:2| Show InChI InChI=1S/C21H28N6O4S/c1-14-8-9-18(26-32(30,31)13-16-6-4-3-5-7-16)20(29)27(14)12-19(28)23-10-17-11-24-21(22)25-15(17)2/h3-9,15,17,26H,10-13H2,1-2H3,(H,23,28)(H3,22,24,25)/t15-,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111714 (CHEMBL416912 | N-(4-Carbamimidoyl-2-methoxy-benzyl...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2OC)C(N)=N)c1=O Show InChI InChI=1S/C23H25N5O6S/c1-33-17-5-3-6-18(12-17)35(31,32)27-19-7-4-10-28(23(19)30)14-21(29)26-13-16-9-8-15(22(24)25)11-20(16)34-2/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111742 (CHEMBL417635 | N-((S)-2-Amino-1,4,5,6-tetrahydro-p...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@@H]1CNC(N)=NC1 |c:28| Show InChI InChI=1S/C20H27N7O2/c1-14-9-24-18(22-8-7-15-5-3-2-4-6-15)19(29)27(14)13-17(28)23-10-16-11-25-20(21)26-12-16/h2-6,9,16H,7-8,10-13H2,1H3,(H,22,24)(H,23,28)(H3,21,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50215314 (CHEMBL100049) Show SMILES Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1 Show InChI InChI=1S/C23H22F2N6O3/c1-14-10-28-21(29-13-23(24,25)16-5-3-2-4-6-16)22(33)31(14)12-19(32)27-11-15-7-8-17-18(9-15)34-30-20(17)26/h2-10H,11-13H2,1H3,(H2,26,30)(H,27,32)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50215447 (CHEMBL101867) Show SMILES Cc1cnc(NCCc2ccc3OCCc3c2)c(=O)n1CC(=O)NCc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C25H26N6O3/c1-16-12-28-24(26-8-6-17-3-5-22-19(10-17)7-9-34-22)25(33)31(16)15-23(32)27-13-18-2-4-21-20(11-18)14-29-30-21/h2-5,10-12,14H,6-9,13,15H2,1H3,(H,26,28)(H,27,32)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50100973 (CHEMBL101605) Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C8H7ClF3N3/c9-6-2-1-4(15-7(13)14)3-5(6)8(10,11)12/h1-3H,(H4,13,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111736 (CHEMBL19548 | N-((4R,5S)-2-Amino-4-methyl-1,4,5,6-...) Show SMILES C[C@H]1N=C(N)NC[C@H]1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O |t:2| Show InChI InChI=1S/C21H29N7O2/c1-14-10-25-19(23-9-8-16-6-4-3-5-7-16)20(30)28(14)13-18(29)24-11-17-12-26-21(22)27-15(17)2/h3-7,10,15,17H,8-9,11-13H2,1-2H3,(H,23,25)(H,24,29)(H3,22,26,27)/t15-,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111720 (CHEMBL19619 | N-(4-Carbamimidoyl-3-fluoro-benzyl)-...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(N)=N)c(F)c1 Show InChI InChI=1S/C23H24FN5O4S/c1-15-7-10-20(28-34(32,33)14-16-5-3-2-4-6-16)23(31)29(15)13-21(30)27-12-17-8-9-18(22(25)26)19(24)11-17/h2-11,28H,12-14H2,1H3,(H3,25,26)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50215308 (CHEMBL99185) Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3OCCc3c2)c(=O)n1CC(=O)NCc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C24H23N5O5S/c1-15-2-5-21(28-35(32,33)19-4-7-22-17(11-19)8-9-34-22)24(31)29(15)14-23(30)25-12-16-3-6-20-18(10-16)13-26-27-20/h2-7,10-11,13,28H,8-9,12,14H2,1H3,(H,25,30)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50105480 (CHEMBL98194) Show SMILES Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]nc(N)c2c1 Show InChI InChI=1S/C21H29NO/c23-17-7-8-18-16(12-17)13-20-19-6-1-2-9-21(18,19)10-11-22(20)14-15-4-3-5-15/h7-8,12,15,19-20,23H,1-6,9-11,13-14H2/t19-,20+,21?/m0/s1	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
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50111729 (CHEMBL277695 | N-(5-Carbamimidoyl-thiophen-2-ylmet...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(s1)C(N)=N Show InChI InChI=1S/C21H24N6O2S/c1-14-11-26-20(24-10-9-15-5-3-2-4-6-15)21(29)27(14)13-18(28)25-12-16-7-8-17(30-16)19(22)23/h2-8,11H,9-10,12-13H2,1H3,(H3,22,23)(H,24,26)(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against trypsin				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50215441 (CHEMBL101562) Show SMILES COc1ccc(CCNc2ncc(C)n(CC(=O)NCc3ccc4[nH]cnc4c3)c2=O)cc1 Show InChI InChI=1S/C24H26N6O3/c1-16-12-27-23(25-10-9-17-3-6-19(33-2)7-4-17)24(32)30(16)14-22(31)26-13-18-5-8-20-21(11-18)29-15-28-20/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H,25,27)(H,26,31)(H,28,29)	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
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111732 (CHEMBL19453 | N-(4-Carbamimidoyl-benzyl)-2-[3-(3-m...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O Show InChI InChI=1S/C22H23N5O5S/c1-32-17-4-2-5-18(12-17)33(30,31)26-19-6-3-11-27(22(19)29)14-20(28)25-13-15-7-9-16(10-8-15)21(23)24/h2-12,26H,13-14H2,1H3,(H3,23,24)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111725 (CHEMBL19689 | N-(5-Amino-pyrazin-2-ylmethyl)-2-(3-...) Show SMILES Cc1cnc(NCC2(CCC2)c2ccc(Cl)cc2)c(=O)n1CC(=O)NCc1cnc(N)cn1 Show InChI InChI=1S/C23H26ClN7O2/c1-15-9-29-21(30-14-23(7-2-8-23)16-3-5-17(24)6-4-16)22(33)31(15)13-20(32)28-11-18-10-27-19(25)12-26-18/h3-6,9-10,12H,2,7-8,11,13-14H2,1H3,(H2,25,27)(H,28,32)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50100974 (CHEMBL317739) Show SMILES C[C@@H](CNc1ncc(C)n(CC(=O)NCc2ccc3[nH]ncc3c2)c1=O)c1ccccc1 Show InChI InChI=1S/C7H7Cl2N3/c8-4-1-5(9)3-6(2-4)12-7(10)11/h1-3H,(H4,10,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111716 (CHEMBL19798 | N-(4-Carbamimidoyl-thiazol-2-ylmethy...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2nc(cs2)C(N)=N)c1=O Show InChI InChI=1S/C19H20N6O5S2/c1-30-12-4-2-5-13(8-12)32(28,29)24-14-6-3-7-25(19(14)27)10-16(26)22-9-17-23-15(11-31-17)18(20)21/h2-8,11,24H,9-10H2,1H3,(H3,20,21)(H,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111731 (CHEMBL19740 | N-(5-Amino-pyrazin-2-ylmethyl)-2-{3-...) Show SMILES Cc1cnc(NCC(F)(F)c2ccc(F)cc2)c(=O)n1CC(=O)NCc1cnc(N)cn1 Show InChI InChI=1S/C20H20F3N7O2/c1-12-6-28-18(29-11-20(22,23)13-2-4-14(21)5-3-13)19(32)30(12)10-17(31)27-8-15-7-26-16(24)9-25-15/h2-7,9H,8,10-11H2,1H3,(H2,24,26)(H,27,31)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111718 (CHEMBL279199 | N-(4-Carbamimidoyl-2-fluoro-benzyl)...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2F)C(N)=N)c1=O Show InChI InChI=1S/C22H22FN5O5S/c1-33-16-4-2-5-17(11-16)34(31,32)27-19-6-3-9-28(22(19)30)13-20(29)26-12-15-8-7-14(21(24)25)10-18(15)23/h2-11,27H,12-13H2,1H3,(H3,24,25)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50215310 (CHEMBL97869) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c(=O)n1CC(=O)NCc1ccc2[nH]cnc2c1 Show InChI InChI=1S/C23H22ClN5O4S/c1-15-2-8-20(28-34(32,33)13-16-3-6-18(24)7-4-16)23(31)29(15)12-22(30)25-11-17-5-9-19-21(10-17)27-14-26-19/h2-10,14,28H,11-13H2,1H3,(H,25,30)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50215311 (CHEMBL317140) Show SMILES COc1ccc(cc1)C1(CNc2ncc(C)n(CC(=O)NCc3ccc4[nH]nc(N)c4c3)c2=O)CC1 Show InChI InChI=1S/C26H29N7O3/c1-16-12-29-24(30-15-26(9-10-26)18-4-6-19(36-2)7-5-18)25(35)33(16)14-22(34)28-13-17-3-8-21-20(11-17)23(27)32-31-21/h3-8,11-12H,9-10,13-15H2,1-2H3,(H,28,34)(H,29,30)(H3,27,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50100975 (CHEMBL100838) Show SMILES C[C@H](CNc1ncc(C)n(CC(=O)NCc2ccc3[nH]cnc3c2)c1=O)c1ccccc1 Show InChI InChI=1S/C8H8Cl3N5/c9-4-1-3(2-5(10)6(4)11)15-8(14)16-7(12)13/h1-2H,(H6,12,13,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111746 (CHEMBL282028 | N-(5-Amino-pyrazin-2-ylmethyl)-2-[3...) Show SMILES Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)cn1 Show InChI InChI=1S/C20H21F2N7O2/c1-13-7-27-18(28-12-20(21,22)14-5-3-2-4-6-14)19(31)29(13)11-17(30)26-9-15-8-25-16(23)10-24-15/h2-8,10H,9,11-12H2,1H3,(H2,23,25)(H,26,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50215302 (CHEMBL98057) Show SMILES Cc1cnc(NCC2(CCC2)c2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]nc(O)c2c1 Show InChI InChI=1S/C26H28N6O3/c1-17-13-28-23(29-16-26(10-5-11-26)19-6-3-2-4-7-19)25(35)32(17)15-22(33)27-14-18-8-9-21-20(12-18)24(34)31-30-21/h2-4,6-9,12-13H,5,10-11,14-16H2,1H3,(H,27,33)(H,28,29)(H2,30,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50216995 (CHEMBL319815) Show SMILES COc1cccc(CCNc2ncc(C)n(CC(=O)NCc3ccc4[nH]ncc4c3)c2=O)c1 Show InChI InChI=1S/C24H26N6O3/c1-16-12-27-23(25-9-8-17-4-3-5-20(11-17)33-2)24(32)30(16)15-22(31)26-13-18-6-7-21-19(10-18)14-28-29-21/h3-7,10-12,14H,8-9,13,15H2,1-2H3,(H,25,27)(H,26,31)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50111730 (2-[3-(2-Fluoro-phenylmethanesulfonylamino)-6-methy...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2F)c(=O)n1CC(=O)N[C@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C21H27FN6O6S/c1-13-8-9-16(27-35(33,34)12-14-5-2-3-6-15(14)22)19(30)28(13)11-18(29)26-17(20(31)32)7-4-10-25-21(23)24/h2-3,5-6,8-9,17,27H,4,7,10-12H2,1H3,(H,26,29)(H,31,32)(H4,23,24,25)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against trypsin				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50111714 (CHEMBL416912 | N-(4-Carbamimidoyl-2-methoxy-benzyl...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2OC)C(N)=N)c1=O Show InChI InChI=1S/C23H25N5O6S/c1-33-17-5-3-6-18(12-17)35(31,32)27-19-7-4-10-28(23(19)30)14-21(29)26-13-16-9-8-15(22(24)25)11-20(16)34-2/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against trypsin				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111743 (2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(s1)C(N)=NO[Si](C)(C)C(C)(C)C |w:29.32| Show InChI InChI=1S/C27H38N6O3SSi/c1-19-16-31-25(29-15-14-20-10-8-7-9-11-20)26(35)33(19)18-23(34)30-17-21-12-13-22(37-21)24(28)32-36-38(5,6)27(2,3)4/h7-13,16H,14-15,17-18H2,1-6H3,(H2,28,32)(H,29,31)(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50111741 (CHEMBL19666 | N-(5-Carbamimidoyl-thiophen-2-ylmeth...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(s1)C(N)=N Show InChI InChI=1S/C21H23N5O4S2/c1-14-7-9-17(25-32(29,30)13-15-5-3-2-4-6-15)21(28)26(14)12-19(27)24-11-16-8-10-18(31-16)20(22)23/h2-10,25H,11-13H2,1H3,(H3,22,23)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against trypsin				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50215304 (CHEMBL98212) Show SMILES Cc1cnc(NCC2(CC2)c2ccc(F)cc2)c(=O)n1CC(=O)NCc1ccc2[nH]nc(N)c2c1 Show InChI InChI=1S/C25H26FN7O2/c1-15-11-29-23(30-14-25(8-9-25)17-3-5-18(26)6-4-17)24(35)33(15)13-21(34)28-12-16-2-7-20-19(10-16)22(27)32-31-20/h2-7,10-11H,8-9,12-14H2,1H3,(H,28,34)(H,29,30)(H3,27,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50215317 (CHEMBL97950) Show SMILES Cc1cnc(NCC2(CC2)c2ccc(F)cc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1 Show InChI InChI=1S/C25H25FN6O3/c1-15-11-29-23(30-14-25(8-9-25)17-3-5-18(26)6-4-17)24(34)32(15)13-21(33)28-12-16-2-7-19-20(10-16)35-31-22(19)27/h2-7,10-11H,8-9,12-14H2,1H3,(H2,27,31)(H,28,33)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50111728 (4-Fluoro-2-({1-[((R)-1-formyl-4-guanidino-butylcar...) Show SMILES COC(=O)c1ccc(F)cc1CS(=O)(=O)Nc1ccc(C)n(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)c1=O Show InChI InChI=1S/C23H29FN6O8S/c1-13-5-8-17(29-39(36,37)12-14-10-15(24)6-7-16(14)22(35)38-2)20(32)30(13)11-19(31)28-18(21(33)34)4-3-9-27-23(25)26/h5-8,10,18,29H,3-4,9,11-12H2,1-2H3,(H,28,31)(H,33,34)(H4,25,26,27)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against trypsin				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50124087 (CHEMBL101563 | N-(1H-Benzoimidazol-5-ylmethyl)-2-(...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc[nH]c2c1 Show InChI InChI=1S/C23H24N6O2/c1-16-12-26-22(24-10-9-17-5-3-2-4-6-17)23(31)29(16)14-21(30)25-13-18-7-8-19-20(11-18)28-15-27-19/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,26)(H,25,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50216992 (CHEMBL98859) Show SMILES Cc1cnc(NCCc2ccc(F)cc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1 Show InChI InChI=1S/C23H23FN6O3/c1-14-11-28-22(26-9-8-15-2-5-17(24)6-3-15)23(32)30(14)13-20(31)27-12-16-4-7-18-19(10-16)33-29-21(18)25/h2-7,10-11H,8-9,12-13H2,1H3,(H2,25,29)(H,26,28)(H,27,31)	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
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50215318 (CHEMBL101613) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C23H24N6O2/c1-16-12-26-22(24-10-9-17-5-3-2-4-6-17)23(31)29(16)15-21(30)25-13-18-7-8-20-19(11-18)14-27-28-20/h2-8,11-12,14H,9-10,13,15H2,1H3,(H,24,26)(H,25,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50111732 (CHEMBL19453 | N-(4-Carbamimidoyl-benzyl)-2-[3-(3-m...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O Show InChI InChI=1S/C22H23N5O5S/c1-32-17-4-2-5-18(12-17)33(30,31)26-19-6-3-11-27(22(19)29)14-20(28)25-13-15-7-9-16(10-8-15)21(23)24/h2-12,26H,13-14H2,1H3,(H3,23,24)(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against trypsin				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50111726 (CHEMBL19359 | N-(4-Carbamimidoyl-benzyl)-2-(6-meth...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C23H26N6O2/c1-16-13-28-22(26-12-11-17-5-3-2-4-6-17)23(31)29(16)15-20(30)27-14-18-7-9-19(10-8-18)21(24)25/h2-10,13H,11-12,14-15H2,1H3,(H3,24,25)(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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against trypsin				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50111717 (2-[3-(2-Fluoro-phenylmethanesulfonylamino)-2-oxo-2...) Show SMILES NC(=N)NCCC[C@@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2F)c1=O)C(O)=O Show InChI InChI=1S/C20H25FN6O6S/c21-14-6-2-1-5-13(14)12-34(32,33)26-15-8-4-10-27(18(15)29)11-17(28)25-16(19(30)31)7-3-9-24-20(22)23/h1-2,4-6,8,10,16,26H,3,7,9,11-12H2,(H,25,28)(H,30,31)(H4,22,23,24)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against trypsin				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50111721 (CHEMBL283555 | N-(4-Carbamimidoyl-2-chloro-benzyl)...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2Cl)C(N)=N)c1=O Show InChI InChI=1S/C22H22ClN5O5S/c1-33-16-4-2-5-17(11-16)34(31,32)27-19-6-3-9-28(22(19)30)13-20(29)26-12-15-8-7-14(21(24)25)10-18(15)23/h2-11,27H,12-13H2,1H3,(H3,24,25)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair

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