Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50014367   

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))	BDBM50141559 (Azaphenylalanine derivative | CHEMBL37318) Show SMILES CC1CCN(CC1)C(=O)N(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O3S/c1-18-11-13-29(14-12-18)25(31)30(17-19-5-4-8-22(15-19)24(26)27)28-34(32,33)23-10-9-20-6-2-3-7-21(20)16-23/h2-10,15-16,18,28H,11-14,17H2,1H3,(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141568 (Azaphenylalanine derivative | CHEMBL38626) Show SMILES NC(=N)c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C25H29N5O3S/c26-24(27)22-11-7-8-19(16-22)18-30(25(31)29-14-5-1-2-6-15-29)28-34(32,33)23-13-12-20-9-3-4-10-21(20)17-23/h3-4,7-13,16-17,28H,1-2,5-6,14-15,18H2,(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141554 (Azaphenylalanine derivative | CHEMBL41947) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NN(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCCC1 Show InChI InChI=1S/C26H31N5O4S/c1-35-23-11-9-21-17-24(12-10-20(21)16-23)36(33,34)29-31(26(32)30-13-4-2-3-5-14-30)18-19-7-6-8-22(15-19)25(27)28/h6-12,15-17,29H,2-5,13-14,18H2,1H3,(H3,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141566 (Azaphenylalanine derivative | CHEMBL40043) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NN(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C26H31N5O4S/c1-18-10-12-30(13-11-18)26(32)31(17-19-4-3-5-22(14-19)25(27)28)29-36(33,34)24-9-7-20-15-23(35-2)8-6-21(20)16-24/h3-9,14-16,18,29H,10-13,17H2,1-2H3,(H3,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141565 (Azaphenylalanine derivative | CHEMBL288862) Show SMILES NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C25H29N5O3S/c26-24(27)21-11-9-19(10-12-21)18-30(25(31)29-15-5-1-2-6-16-29)28-34(32,33)23-14-13-20-7-3-4-8-22(20)17-23/h3-4,7-14,17,28H,1-2,5-6,15-16,18H2,(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141570 (Azaphenylalanine derivative | CHEMBL291101) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NN(Cc1ccc(cc1)C(N)=N)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C26H31N5O4S/c1-18-11-13-30(14-12-18)26(32)31(17-19-3-5-20(6-4-19)25(27)28)29-36(33,34)24-10-8-21-15-23(35-2)9-7-22(21)16-24/h3-10,15-16,18,29H,11-14,17H2,1-2H3,(H3,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141554 (Azaphenylalanine derivative | CHEMBL41947) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NN(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCCC1 Show InChI InChI=1S/C26H31N5O4S/c1-35-23-11-9-21-17-24(12-10-20(21)16-23)36(33,34)29-31(26(32)30-13-4-2-3-5-14-30)18-19-7-6-8-22(15-19)25(27)28/h6-12,15-17,29H,2-5,13-14,18H2,1H3,(H3,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141558 (Azaphenylalanine derivative | CHEMBL39760) Show SMILES CC1CCCCN1C(=O)N(Cc1ccc(cc1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O3S/c1-18-6-4-5-15-29(18)25(31)30(17-19-9-11-21(12-10-19)24(26)27)28-34(32,33)23-14-13-20-7-2-3-8-22(20)16-23/h2-3,7-14,16,18,28H,4-6,15,17H2,1H3,(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141560 (Azaphenylalanine derivative | CHEMBL41220) Show SMILES NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-10-8-18(9-11-20)17-29(24(30)28-14-4-1-5-15-28)27-33(31,32)22-13-12-19-6-2-3-7-21(19)16-22/h2-3,6-13,16,27H,1,4-5,14-15,17H2,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141559 (Azaphenylalanine derivative | CHEMBL37318) Show SMILES CC1CCN(CC1)C(=O)N(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O3S/c1-18-11-13-29(14-12-18)25(31)30(17-19-5-4-8-22(15-19)24(26)27)28-34(32,33)23-10-9-20-6-2-3-7-21(20)16-23/h2-10,15-16,18,28H,11-14,17H2,1H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141568 (Azaphenylalanine derivative | CHEMBL38626) Show SMILES NC(=N)c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C25H29N5O3S/c26-24(27)22-11-7-8-19(16-22)18-30(25(31)29-14-5-1-2-6-15-29)28-34(32,33)23-13-12-20-9-3-4-10-21(20)17-23/h3-4,7-13,16-17,28H,1-2,5-6,14-15,18H2,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141555 (Azaphenylalanine derivative | CHEMBL43017) Show SMILES NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)C(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C27H31N5O3S/c28-26(29)24-12-10-21(11-13-24)20-32(27(33)31-18-6-1-2-7-19-31)30-36(34,35)25-16-14-23(15-17-25)22-8-4-3-5-9-22/h3-5,8-17,30H,1-2,6-7,18-20H2,(H3,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141564 (Azaphenylalanine derivative | CHEMBL39587) Show SMILES ONC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C25H29N5O4S/c26-24(27-32)21-11-9-19(10-12-21)18-30(25(31)29-15-5-1-2-6-16-29)28-35(33,34)23-14-13-20-7-3-4-8-22(20)17-23/h3-4,7-14,17,28,32H,1-2,5-6,15-16,18H2,(H2,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141569 (Azaphenylalanine derivative | CHEMBL39590) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NN(Cc1ccc(cc1)C(=N)NO)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C26H31N5O5S/c1-18-11-13-30(14-12-18)26(32)31(17-19-3-5-20(6-4-19)25(27)28-33)29-37(34,35)24-10-8-21-15-23(36-2)9-7-22(21)16-24/h3-10,15-16,18,29,33H,11-14,17H2,1-2H3,(H2,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141571 (Azaphenylalanine derivative | CHEMBL37857) Show SMILES CC1CCCCN1C(=O)N(Cc1ccc(cc1)C(=N)NO)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O4S/c1-18-6-4-5-15-29(18)25(31)30(17-19-9-11-21(12-10-19)24(26)27-32)28-35(33,34)23-14-13-20-7-2-3-8-22(20)16-23/h2-3,7-14,16,18,28,32H,4-6,15,17H2,1H3,(H2,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141561 (Azaphenylalanine derivative | CHEMBL38491) Show SMILES CC1CCN(CC1)C(=O)N(Cc1cccc(c1)C(=N)NO)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O4S/c1-18-11-13-29(14-12-18)25(31)30(17-19-5-4-8-22(15-19)24(26)27-32)28-35(33,34)23-10-9-20-6-2-3-7-21(20)16-23/h2-10,15-16,18,28,32H,11-14,17H2,1H3,(H2,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141562 (Azaphenylalanine derivative | CHEMBL39078) Show SMILES ONC(=N)c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C25H29N5O4S/c26-24(27-32)22-11-7-8-19(16-22)18-30(25(31)29-14-5-1-2-6-15-29)28-35(33,34)23-13-12-20-9-3-4-10-21(20)17-23/h3-4,7-13,16-17,28,32H,1-2,5-6,14-15,18H2,(H2,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141563 (Azaphenylalanine derivative | CHEMBL289331) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NN(Cc1cccc(c1)C(=N)NO)C(=O)N1CCCCCC1 Show InChI InChI=1S/C26H31N5O5S/c1-36-23-11-9-21-17-24(12-10-20(21)16-23)37(34,35)29-31(26(32)30-13-4-2-3-5-14-30)18-19-7-6-8-22(15-19)25(27)28-33/h6-12,15-17,29,33H,2-5,13-14,18H2,1H3,(H2,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141567 (Azaphenylalanine derivative | CHEMBL39911) Show SMILES CC1CCN(CC1)C(=O)N(Cc1ccc(cc1)C(=N)NO)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O4S/c1-18-12-14-29(15-13-18)25(31)30(17-19-6-8-21(9-7-19)24(26)27-32)28-35(33,34)23-11-10-20-4-2-3-5-22(20)16-23/h2-11,16,18,28,32H,12-15,17H2,1H3,(H2,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141573 (Azaphenylalanine derivative | CHEMBL38467) Show SMILES ONC(=N)c1ccc(CN(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)C(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C27H31N5O4S/c28-26(29-34)24-12-10-21(11-13-24)20-32(27(33)31-18-6-1-2-7-19-31)30-37(35,36)25-16-14-23(15-17-25)22-8-4-3-5-9-22/h3-5,8-17,30,34H,1-2,6-7,18-20H2,(H2,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141556 (Azaphenylalanine derivative | CHEMBL36960) Show SMILES ONC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C24H27N5O4S/c25-23(26-31)20-10-8-18(9-11-20)17-29(24(30)28-14-4-1-5-15-28)27-34(32,33)22-13-12-19-6-2-3-7-21(19)16-22/h2-3,6-13,16,27,31H,1,4-5,14-15,17H2,(H2,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50141554 (Azaphenylalanine derivative | CHEMBL41947) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NN(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCCC1 Show InChI InChI=1S/C26H31N5O4S/c1-35-23-11-9-21-17-24(12-10-20(21)16-23)36(33,34)29-31(26(32)30-13-4-2-3-5-14-30)18-19-7-6-8-22(15-19)25(27)28/h6-12,15-17,29H,2-5,13-14,18H2,1H3,(H3,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50141568 (Azaphenylalanine derivative | CHEMBL38626) Show SMILES NC(=N)c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C25H29N5O3S/c26-24(27)22-11-7-8-19(16-22)18-30(25(31)29-14-5-1-2-6-15-29)28-34(32,33)23-13-12-20-9-3-4-10-21(20)17-23/h3-4,7-13,16-17,28H,1-2,5-6,14-15,18H2,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141572 (Azaphenylalanine derivative | CHEMBL41359) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NN(Cc1cccc(c1)C(=N)NO)C(=O)N1CCCCC1C Show InChI InChI=1S/C26H31N5O5S/c1-18-6-3-4-13-30(18)26(32)31(17-19-7-5-8-22(14-19)25(27)28-33)29-37(34,35)24-12-10-20-15-23(36-2)11-9-21(20)16-24/h5,7-12,14-16,18,29,33H,3-4,6,13,17H2,1-2H3,(H2,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50141559 (Azaphenylalanine derivative | CHEMBL37318) Show SMILES CC1CCN(CC1)C(=O)N(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O3S/c1-18-11-13-29(14-12-18)25(31)30(17-19-5-4-8-22(15-19)24(26)27)28-34(32,33)23-10-9-20-6-2-3-7-21(20)16-23/h2-10,15-16,18,28H,11-14,17H2,1H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50141557 (Azaphenylalanine derivative | CHEMBL43817) Show SMILES CC1CCCCN1C(=O)N(Cc1cccc(c1)C(=N)NO)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O4S/c1-18-7-4-5-14-29(18)25(31)30(17-19-8-6-11-22(15-19)24(26)27-32)28-35(33,34)23-13-12-20-9-2-3-10-21(20)16-23/h2-3,6,8-13,15-16,18,28,32H,4-5,7,14,17H2,1H3,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141565 (Azaphenylalanine derivative | CHEMBL288862) Show SMILES NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C25H29N5O3S/c26-24(27)21-11-9-19(10-12-21)18-30(25(31)29-15-5-1-2-6-16-29)28-34(32,33)23-14-13-20-7-3-4-8-22(20)17-23/h3-4,7-14,17,28H,1-2,5-6,15-16,18H2,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50141557 (Azaphenylalanine derivative | CHEMBL43817) Show SMILES CC1CCCCN1C(=O)N(Cc1cccc(c1)C(=N)NO)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O4S/c1-18-7-4-5-14-29(18)25(31)30(17-19-8-6-11-22(15-19)24(26)27-32)28-35(33,34)23-13-12-20-9-2-3-10-21(20)16-23/h2-3,6,8-13,15-16,18,28,32H,4-5,7,14,17H2,1H3,(H2,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141564 (Azaphenylalanine derivative | CHEMBL39587) Show SMILES ONC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C25H29N5O4S/c26-24(27-32)21-11-9-19(10-12-21)18-30(25(31)29-15-5-1-2-6-16-29)28-35(33,34)23-14-13-20-7-3-4-8-22(20)17-23/h3-4,7-14,17,28,32H,1-2,5-6,15-16,18H2,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141560 (Azaphenylalanine derivative | CHEMBL41220) Show SMILES NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-10-8-18(9-11-20)17-29(24(30)28-14-4-1-5-15-28)27-33(31,32)22-13-12-19-6-2-3-7-21(19)16-22/h2-3,6-13,16,27H,1,4-5,14-15,17H2,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141563 (Azaphenylalanine derivative | CHEMBL289331) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NN(Cc1cccc(c1)C(=N)NO)C(=O)N1CCCCCC1 Show InChI InChI=1S/C26H31N5O5S/c1-36-23-11-9-21-17-24(12-10-20(21)16-23)37(34,35)29-31(26(32)30-13-4-2-3-5-14-30)18-19-7-6-8-22(15-19)25(27)28-33/h6-12,15-17,29,33H,2-5,13-14,18H2,1H3,(H2,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141570 (Azaphenylalanine derivative | CHEMBL291101) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NN(Cc1ccc(cc1)C(N)=N)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C26H31N5O4S/c1-18-11-13-30(14-12-18)26(32)31(17-19-3-5-20(6-4-19)25(27)28)29-36(33,34)24-10-8-21-15-23(35-2)9-7-22(21)16-24/h3-10,15-16,18,29H,11-14,17H2,1-2H3,(H3,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141555 (Azaphenylalanine derivative | CHEMBL43017) Show SMILES NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)C(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C27H31N5O3S/c28-26(29)24-12-10-21(11-13-24)20-32(27(33)31-18-6-1-2-7-19-31)30-36(34,35)25-16-14-23(15-17-25)22-8-4-3-5-9-22/h3-5,8-17,30H,1-2,6-7,18-20H2,(H3,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141558 (Azaphenylalanine derivative | CHEMBL39760) Show SMILES CC1CCCCN1C(=O)N(Cc1ccc(cc1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O3S/c1-18-6-4-5-15-29(18)25(31)30(17-19-9-11-21(12-10-19)24(26)27)28-34(32,33)23-14-13-20-7-2-3-8-22(20)16-23/h2-3,7-14,16,18,28H,4-6,15,17H2,1H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141562 (Azaphenylalanine derivative | CHEMBL39078) Show SMILES ONC(=N)c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C25H29N5O4S/c26-24(27-32)22-11-7-8-19(16-22)18-30(25(31)29-14-5-1-2-6-15-29)28-35(33,34)23-13-12-20-9-3-4-10-21(20)17-23/h3-4,7-13,16-17,28,32H,1-2,5-6,14-15,18H2,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141571 (Azaphenylalanine derivative | CHEMBL37857) Show SMILES CC1CCCCN1C(=O)N(Cc1ccc(cc1)C(=N)NO)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O4S/c1-18-6-4-5-15-29(18)25(31)30(17-19-9-11-21(12-10-19)24(26)27-32)28-35(33,34)23-14-13-20-7-2-3-8-22(20)16-23/h2-3,7-14,16,18,28,32H,4-6,15,17H2,1H3,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141572 (Azaphenylalanine derivative | CHEMBL41359) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NN(Cc1cccc(c1)C(=N)NO)C(=O)N1CCCCC1C Show InChI InChI=1S/C26H31N5O5S/c1-18-6-3-4-13-30(18)26(32)31(17-19-7-5-8-22(14-19)25(27)28-33)29-37(34,35)24-12-10-20-15-23(36-2)11-9-21(20)16-24/h5,7-12,14-16,18,29,33H,3-4,6,13,17H2,1-2H3,(H2,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50141558 (Azaphenylalanine derivative | CHEMBL39760) Show SMILES CC1CCCCN1C(=O)N(Cc1ccc(cc1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O3S/c1-18-6-4-5-15-29(18)25(31)30(17-19-9-11-21(12-10-19)24(26)27)28-34(32,33)23-14-13-20-7-2-3-8-22(20)16-23/h2-3,7-14,16,18,28H,4-6,15,17H2,1H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50141560 (Azaphenylalanine derivative | CHEMBL41220) Show SMILES NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-10-8-18(9-11-20)17-29(24(30)28-14-4-1-5-15-28)27-33(31,32)22-13-12-19-6-2-3-7-21(19)16-22/h2-3,6-13,16,27H,1,4-5,14-15,17H2,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141557 (Azaphenylalanine derivative | CHEMBL43817) Show SMILES CC1CCCCN1C(=O)N(Cc1cccc(c1)C(=N)NO)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O4S/c1-18-7-4-5-14-29(18)25(31)30(17-19-8-6-11-22(15-19)24(26)27-32)28-35(33,34)23-13-12-20-9-2-3-10-21(20)16-23/h2-3,6,8-13,15-16,18,28,32H,4-5,7,14,17H2,1H3,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141567 (Azaphenylalanine derivative | CHEMBL39911) Show SMILES CC1CCN(CC1)C(=O)N(Cc1ccc(cc1)C(=N)NO)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O4S/c1-18-12-14-29(15-13-18)25(31)30(17-19-6-8-21(9-7-19)24(26)27-32)28-35(33,34)23-11-10-20-4-2-3-5-22(20)16-23/h2-11,16,18,28,32H,12-15,17H2,1H3,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141569 (Azaphenylalanine derivative | CHEMBL39590) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NN(Cc1ccc(cc1)C(=N)NO)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C26H31N5O5S/c1-18-11-13-30(14-12-18)26(32)31(17-19-3-5-20(6-4-19)25(27)28-33)29-37(34,35)24-10-8-21-15-23(36-2)9-7-22(21)16-24/h3-10,15-16,18,29,33H,11-14,17H2,1-2H3,(H2,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141561 (Azaphenylalanine derivative | CHEMBL38491) Show SMILES CC1CCN(CC1)C(=O)N(Cc1cccc(c1)C(=N)NO)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O4S/c1-18-11-13-29(14-12-18)25(31)30(17-19-5-4-8-22(15-19)24(26)27-32)28-35(33,34)23-10-9-20-6-2-3-7-21(20)16-23/h2-10,15-16,18,28,32H,11-14,17H2,1H3,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50141556 (Azaphenylalanine derivative | CHEMBL36960) Show SMILES ONC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C24H27N5O4S/c25-23(26-31)20-10-8-18(9-11-20)17-29(24(30)28-14-4-1-5-15-28)27-34(32,33)22-13-12-19-6-2-3-7-21(19)16-22/h2-3,6-13,16,27,31H,1,4-5,14-15,17H2,(H2,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50141565 (Azaphenylalanine derivative | CHEMBL288862) Show SMILES NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C25H29N5O3S/c26-24(27)21-11-9-19(10-12-21)18-30(25(31)29-15-5-1-2-6-16-29)28-34(32,33)23-14-13-20-7-3-4-8-22(20)17-23/h3-4,7-14,17,28H,1-2,5-6,15-16,18H2,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50141569 (Azaphenylalanine derivative | CHEMBL39590) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NN(Cc1ccc(cc1)C(=N)NO)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C26H31N5O5S/c1-18-11-13-30(14-12-18)26(32)31(17-19-3-5-20(6-4-19)25(27)28-33)29-37(34,35)24-10-8-21-15-23(36-2)9-7-22(21)16-24/h3-10,15-16,18,29,33H,11-14,17H2,1-2H3,(H2,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50141570 (Azaphenylalanine derivative | CHEMBL291101) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)NN(Cc1ccc(cc1)C(N)=N)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C26H31N5O4S/c1-18-11-13-30(14-12-18)26(32)31(17-19-3-5-20(6-4-19)25(27)28)29-36(33,34)24-10-8-21-15-23(35-2)9-7-22(21)16-24/h3-10,15-16,18,29H,11-14,17H2,1-2H3,(H3,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50141561 (Azaphenylalanine derivative | CHEMBL38491) Show SMILES CC1CCN(CC1)C(=O)N(Cc1cccc(c1)C(=N)NO)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O4S/c1-18-11-13-29(14-12-18)25(31)30(17-19-5-4-8-22(15-19)24(26)27-32)28-35(33,34)23-10-9-20-6-2-3-7-21(20)16-23/h2-10,15-16,18,28,32H,11-14,17H2,1H3,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50141567 (Azaphenylalanine derivative | CHEMBL39911) Show SMILES CC1CCN(CC1)C(=O)N(Cc1ccc(cc1)C(=N)NO)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O4S/c1-18-12-14-29(15-13-18)25(31)30(17-19-6-8-21(9-7-19)24(26)27-32)28-35(33,34)23-11-10-20-4-2-3-5-22(20)16-23/h2-11,16,18,28,32H,12-15,17H2,1H3,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50141564 (Azaphenylalanine derivative | CHEMBL39587) Show SMILES ONC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C25H29N5O4S/c26-24(27-32)21-11-9-19(10-12-21)18-30(25(31)29-15-5-1-2-6-16-29)28-35(33,34)23-14-13-20-7-3-4-8-22(20)17-23/h3-4,7-14,17,28,32H,1-2,5-6,15-16,18H2,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair

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