Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'trampus-bakija' and Initial = 'a'   

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))	BDBM50124076 ((S)-1-((R)-3-Cyclohexyl-1-oxo-2-phenylmethanesulfo...) Show SMILES O=C(NCC1CCc2[nH]ncc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H41N5O4S/c35-28(30-18-23-13-14-25-24(16-23)19-31-32-25)27-12-7-15-34(27)29(36)26(17-21-8-3-1-4-9-21)33-39(37,38)20-22-10-5-2-6-11-22/h2,5-6,10-11,19,21,23,26-27,33H,1,3-4,7-9,12-18,20H2,(H,30,35)(H,31,32)/t23?,26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					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))	BDBM50124071 (((R)-1-Cyclohexylmethyl-2-oxo-2-{(S)-2-[(4,5,6,7-t...) Show SMILES OC(=O)CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C24H37N5O4/c30-22(31)15-25-20(12-16-5-2-1-3-6-16)24(33)29-10-4-7-21(29)23(32)26-13-17-8-9-19-18(11-17)14-27-28-19/h14,16-17,20-21,25H,1-13,15H2,(H,26,32)(H,27,28)(H,30,31)/t17?,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	280	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 inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50124073 ((S)-1-((R)-2-Amino-1-oxo-3,3-diphenyl-propyl)-pyrr...) Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C28H33N5O2/c29-26(25(20-8-3-1-4-9-20)21-10-5-2-6-11-21)28(35)33-15-7-12-24(33)27(34)30-17-19-13-14-23-22(16-19)18-31-32-23/h1-6,8-11,18-19,24-26H,7,12-17,29H2,(H,30,34)(H,31,32)/t19?,24-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	360	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 inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					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))	BDBM50124083 (((R)-1-Benzhydryl-2-oxo-2-{(S)-2-[(4,5,6,7-tetrahy...) Show SMILES CC(C)(C)OC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C33H41N5O4/c1-33(2,3)42-32(41)36-29(28(23-11-6-4-7-12-23)24-13-8-5-9-14-24)31(40)38-18-10-15-27(38)30(39)34-20-22-16-17-26-25(19-22)21-35-37-26/h4-9,11-14,21-22,27-29H,10,15-20H2,1-3H3,(H,34,39)(H,35,37)(H,36,41)/t22?,27-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	530	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 inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					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))	BDBM50124075 ((S)-1-[(R)-2-Amino-3-(3,4-dichloro-phenyl)-1-oxo-p...) Show SMILES N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C22H27Cl2N5O2/c23-16-5-3-13(9-17(16)24)10-18(25)22(31)29-7-1-2-20(29)21(30)26-11-14-4-6-19-15(8-14)12-27-28-19/h3,5,9,12,14,18,20H,1-2,4,6-8,10-11,25H2,(H,26,30)(H,27,28)/t14?,18-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	690	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 inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					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
Prothrombin (Homo sapiens (Human))	BDBM50124077 (((R)-1-(3,4-Dichloro-benzyl)-2-oxo-2-{(S)-2-[(4,5,...) Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C27H35Cl2N5O4/c1-27(2,3)38-26(37)32-22(13-16-6-8-19(28)20(29)12-16)25(36)34-10-4-5-23(34)24(35)30-14-17-7-9-21-18(11-17)15-31-33-21/h6,8,12,15,17,22-23H,4-5,7,9-11,13-14H2,1-3H3,(H,30,35)(H,31,33)(H,32,37)/t17?,22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.33E+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 inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					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
Prothrombin (Homo sapiens (Human))	BDBM50124072 (((R)-2-{(S)-2-[(2-Amino-5,6,7,8-tetrahydro-quinazo...) Show SMILES CC(C)(C)OC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C34H42N6O4/c1-34(2,3)44-33(43)39-29(28(23-11-6-4-7-12-23)24-13-8-5-9-14-24)31(42)40-18-10-15-27(40)30(41)36-20-22-16-17-26-25(19-22)21-37-32(35)38-26/h4-9,11-14,21-22,27-29H,10,15-20H2,1-3H3,(H,36,41)(H,39,43)(H2,35,37,38)/t22?,27-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.50E+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 inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					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
Prothrombin (Homo sapiens (Human))	BDBM50124078 ((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...) Show SMILES O=C(NC1CCc2[nH]ncc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H39N5O4S/c34-27(30-23-13-14-24-22(17-23)18-29-31-24)26-12-7-15-33(26)28(35)25(16-20-8-3-1-4-9-20)32-38(36,37)19-21-10-5-2-6-11-21/h2,5-6,10-11,18,20,23,25-26,32H,1,3-4,7-9,12-17,19H2,(H,29,31)(H,30,34)/t23?,25-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.38E+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 inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					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
Prothrombin (Homo sapiens (Human))	BDBM50124074 ((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...) Show SMILES Cn1cc2CC(CCc2n1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H41N5O4S/c1-33-19-23-18-24(14-15-25(23)31-33)30-28(35)27-13-8-16-34(27)29(36)26(17-21-9-4-2-5-10-21)32-39(37,38)20-22-11-6-3-7-12-22/h3,6-7,11-12,19,21,24,26-27,32H,2,4-5,8-10,13-18,20H2,1H3,(H,30,35)/t24?,26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.28E+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 inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50124084 ((S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrroli...) Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C29H34N6O2/c30-26(25(20-8-3-1-4-9-20)21-10-5-2-6-11-21)28(37)35-15-7-12-24(35)27(36)32-17-19-13-14-23-22(16-19)18-33-29(31)34-23/h1-6,8-11,18-19,24-26H,7,12-17,30H2,(H,32,36)(H2,31,33,34)/t19?,24-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.29E+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 inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					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))	BDBM50124071 (((R)-1-Cyclohexylmethyl-2-oxo-2-{(S)-2-[(4,5,6,7-t...) Show SMILES OC(=O)CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C24H37N5O4/c30-22(31)15-25-20(12-16-5-2-1-3-6-16)24(33)29-10-4-7-21(29)23(32)26-13-17-8-9-19-18(11-17)14-27-28-19/h14,16-17,20-21,25H,1-13,15H2,(H,26,32)(H,27,28)(H,30,31)/t17?,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1.99E+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 inhibitory activity against Trypsin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					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
Prothrombin (Homo sapiens (Human))	BDBM50124085 ((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...) Show SMILES O=C(NC1CCc2c[nH]cc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H40N4O4S/c34-28(31-25-14-13-23-18-30-19-24(23)17-25)27-12-7-15-33(27)29(35)26(16-21-8-3-1-4-9-21)32-38(36,37)20-22-10-5-2-6-11-22/h2,5-6,10-11,18-19,21,25-27,30,32H,1,3-4,7-9,12-17,20H2,(H,31,34)/t25?,26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.73E+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 inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					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
Prothrombin (Homo sapiens (Human))	BDBM50124081 (CHEMBL164221 | [(R)-2-{(S)-2-[(2-Amino-5,6,7,8-tet...) Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C28H36Cl2N6O4/c1-28(2,3)40-27(39)35-22(13-16-6-8-19(29)20(30)12-16)25(38)36-10-4-5-23(36)24(37)32-14-17-7-9-21-18(11-17)15-33-26(31)34-21/h6,8,12,15,17,22-23H,4-5,7,9-11,13-14H2,1-3H3,(H,32,37)(H,35,39)(H2,31,33,34)/t17?,22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>3.51E+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 inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50124080 ((S)-1-[(R)-2-Amino-3-(3,4-dichloro-phenyl)-propion...) Show SMILES N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C23H28Cl2N6O2/c24-16-5-3-13(9-17(16)25)10-18(26)22(33)31-7-1-2-20(31)21(32)28-11-14-4-6-19-15(8-14)12-29-23(27)30-19/h3,5,9,12,14,18,20H,1-2,4,6-8,10-11,26H2,(H,28,32)(H2,27,29,30)/t14?,18-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>3.51E+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 inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50124079 ((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...) Show SMILES Nc1ncc2CC(CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc3ccccc3)CCc2n1 Show InChI InChI=1S/C30H42N6O4S/c31-30-33-19-24-16-23(13-14-25(24)34-30)18-32-28(37)27-12-7-15-36(27)29(38)26(17-21-8-3-1-4-9-21)35-41(39,40)20-22-10-5-2-6-11-22/h2,5-6,10-11,19,21,23,26-27,35H,1,3-4,7-9,12-18,20H2,(H,32,37)(H2,31,33,34)/t23?,26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>3.51E+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 inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					More data for this Ligand-Target Pair

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