Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50035017   

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
Coagulation factor X (Bos taurus)	BDBM13281 (4-Amino-3-[3-(S)-(7-methoxynaphthalen-2-ylsulfonyl...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O |r| Show InChI InChI=1S/C23H25N5O4S/c1-32-18-5-2-14-3-6-19(12-16(14)11-18)33(30,31)27-21-8-9-28(23(21)29)13-17-10-15(22(25)26)4-7-20(17)24/h2-7,10-12,21,27H,8-9,13,24H2,1H3,(H3,25,26)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50081009 (CHEMBL85938 | Thieno[3,2-b]pyridine-2-sulfonic aci...) Show SMILES Nc1cc2ccnc(N)c2cc1CN1CC[C@H](NS(=O)(=O)c2cc3ncccc3s2)C1=O Show InChI InChI=1S/C21H20N6O3S2/c22-15-9-12-3-6-25-20(23)14(12)8-13(15)11-27-7-4-16(21(27)28)26-32(29,30)19-10-17-18(31-19)2-1-5-24-17/h1-3,5-6,8-10,16,26H,4,7,11,22H2,(H2,23,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM13279 (4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r| Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM14058 (CHEMBL316053 | N-[(3S)-1-[(1-aminoisoquinolin-7-yl...) Show SMILES Nc1nccc2ccc(CN3CC[C@H](NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12 |r| Show InChI InChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50081011 (3-[(S)-2-Oxo-3-(thieno[3,2-b]pyridine-2-sulfonylam...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1 Show InChI InChI=1S/C19H19N5O3S2/c20-18(21)13-4-1-3-12(9-13)11-24-8-6-14(19(24)25)23-29(26,27)17-10-15-16(28-17)5-2-7-22-15/h1-5,7,9-10,14,23H,6,8,11H2,(H3,20,21)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM13280 (3-{[(3S)-3-[(7-methoxynaphthalene-2-)sulfonamido]-...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r| Show InChI InChI=1S/C23H24N4O4S/c1-31-19-7-5-16-6-8-20(13-18(16)12-19)32(29,30)26-21-9-10-27(23(21)28)14-15-3-2-4-17(11-15)22(24)25/h2-8,11-13,21,26H,9-10,14H2,1H3,(H3,24,25)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50081008 (7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1,6-...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc3c(N)nccc3cc2N)C1=O Show InChI InChI=1S/C25H25N5O4S/c1-34-19-4-2-15-3-5-20(11-17(15)10-19)35(32,33)29-23-7-9-30(25(23)31)14-18-12-21-16(13-22(18)26)6-8-28-24(21)27/h2-6,8,10-13,23,29H,7,9,14,26H2,1H3,(H2,27,28)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50081001 (7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-am...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc3ccnc(N)c3c2)C1=O Show InChI InChI=1S/C25H24N4O4S/c1-33-20-6-4-17-5-7-21(14-19(17)13-20)34(31,32)28-23-9-11-29(25(23)30)15-16-2-3-18-8-10-27-24(26)22(18)12-16/h2-8,10,12-14,23,28H,9,11,15H2,1H3,(H2,26,27)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50081004 (7-Methoxy-naphthalene-2-sulfonic acid [1-(4-amino-...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC1CCN(Cc2cc3c(N)nccc3s2)C1=O Show InChI InChI=1S/C23H22N4O4S2/c1-31-16-4-2-14-3-5-18(11-15(14)10-16)33(29,30)26-20-7-9-27(23(20)28)13-17-12-19-21(32-17)6-8-25-22(19)24/h2-6,8,10-12,20,26H,7,9,13H2,1H3,(H2,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50081007 (7-Methoxy-naphthalene-2-sulfonic acid [1-(2-amino-...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC1CCN(Cc2ccc3ccc(N)nc3c2)C1=O Show InChI InChI=1S/C25H24N4O4S/c1-33-20-7-4-17-5-8-21(14-19(17)13-20)34(31,32)28-22-10-11-29(25(22)30)15-16-2-3-18-6-9-24(26)27-23(18)12-16/h2-9,12-14,22,28H,10-11,15H2,1H3,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM13280 (3-{[(3S)-3-[(7-methoxynaphthalene-2-)sulfonamido]-...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r| Show InChI InChI=1S/C23H24N4O4S/c1-31-19-7-5-16-6-8-20(13-18(16)12-19)32(29,30)26-21-9-10-27(23(21)28)14-15-3-2-4-17(11-15)22(24)25/h2-8,11-13,21,26H,9-10,14H2,1H3,(H3,24,25)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against trypsin				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50081003 (7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-am...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc3c(N)nccc3cc2OC)C1=O Show InChI InChI=1S/C26H26N4O5S/c1-34-20-5-3-16-4-6-21(12-18(16)11-20)36(32,33)29-23-8-10-30(26(23)31)15-19-13-22-17(14-24(19)35-2)7-9-28-25(22)27/h3-7,9,11-14,23,29H,8,10,15H2,1-2H3,(H2,27,28)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50081010 (7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-ch...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc3ccnc(Cl)c3c2)C1=O Show InChI InChI=1S/C25H22ClN3O4S/c1-33-20-6-4-17-5-7-21(14-19(17)13-20)34(31,32)28-23-9-11-29(25(23)30)15-16-2-3-18-8-10-27-24(26)22(18)12-16/h2-8,10,12-14,23,28H,9,11,15H2,1H3/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50081012 (7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-hy...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc3cc[nH]c(=O)c3c2)C1=O Show InChI InChI=1S/C25H23N3O5S/c1-33-20-6-4-17-5-7-21(14-19(17)13-20)34(31,32)27-23-9-11-28(25(23)30)15-16-2-3-18-8-10-26-24(29)22(18)12-16/h2-8,10,12-14,23,27H,9,11,15H2,1H3,(H,26,29)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50081005 (7-Methoxy-naphthalene-2-sulfonic acid [1-(2-amino-...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC1CCN(Cc2ccc3nc(N)ccc3c2)C1=O Show InChI InChI=1S/C25H24N4O4S/c1-33-20-6-3-17-4-7-21(14-19(17)13-20)34(31,32)28-23-10-11-29(25(23)30)15-16-2-8-22-18(12-16)5-9-24(26)27-22/h2-9,12-14,23,28H,10-11,15H2,1H3,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50081001 (7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-am...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc3ccnc(N)c3c2)C1=O Show InChI InChI=1S/C25H24N4O4S/c1-33-20-6-4-17-5-7-21(14-19(17)13-20)34(31,32)28-23-9-11-29(25(23)30)15-16-2-3-18-8-10-27-24(26)22(18)12-16/h2-8,10,12-14,23,28H,9,11,15H2,1H3,(H2,26,27)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor II in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM13280 (3-{[(3S)-3-[(7-methoxynaphthalene-2-)sulfonamido]-...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r| Show InChI InChI=1S/C23H24N4O4S/c1-31-19-7-5-16-6-8-20(13-18(16)12-19)32(29,30)26-21-9-10-27(23(21)28)14-15-3-2-4-17(11-15)22(24)25/h2-8,11-13,21,26H,9-10,14H2,1H3,(H3,24,25)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor II in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50366615 (CHEMBL1907672) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2ccc3ncnc(N)c3c2)C1=O |r| Show InChI InChI=1S/C25H25N5O4S/c1-29(35(32,33)20-7-5-17-4-6-19(34-2)12-18(17)13-20)23-9-10-30(25(23)31)14-16-3-8-22-21(11-16)24(26)28-15-27-22/h3-8,11-13,15,23H,9-10,14H2,1-2H3,(H2,26,27,28)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50081004 (7-Methoxy-naphthalene-2-sulfonic acid [1-(4-amino-...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC1CCN(Cc2cc3c(N)nccc3s2)C1=O Show InChI InChI=1S/C23H22N4O4S2/c1-31-16-4-2-14-3-5-18(11-15(14)10-16)33(29,30)26-20-7-9-27(23(20)28)13-17-12-19-21(32-17)6-8-25-22(19)24/h2-6,8,10-12,20,26H,7,9,13H2,1H3,(H2,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against trypsin				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50081005 (7-Methoxy-naphthalene-2-sulfonic acid [1-(2-amino-...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC1CCN(Cc2ccc3nc(N)ccc3c2)C1=O Show InChI InChI=1S/C25H24N4O4S/c1-33-20-6-3-17-4-7-21(14-19(17)13-20)34(31,32)28-23-10-11-29(25(23)30)15-16-2-8-22-18(12-16)5-9-24(26)27-22/h2-9,12-14,23,28H,10-11,15H2,1H3,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against trypsin				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50081007 (7-Methoxy-naphthalene-2-sulfonic acid [1-(2-amino-...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC1CCN(Cc2ccc3ccc(N)nc3c2)C1=O Show InChI InChI=1S/C25H24N4O4S/c1-33-20-7-4-17-5-8-21(14-19(17)13-20)34(31,32)28-22-10-11-29(25(22)30)15-16-2-3-18-6-9-24(26)27-23(18)12-16/h2-9,12-14,22,28H,10-11,15H2,1H3,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against trypsin				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50081001 (7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-am...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc3ccnc(N)c3c2)C1=O Show InChI InChI=1S/C25H24N4O4S/c1-33-20-6-4-17-5-7-21(14-19(17)13-20)34(31,32)28-23-9-11-29(25(23)30)15-16-2-3-18-8-10-27-24(26)22(18)12-16/h2-8,10,12-14,23,28H,9,11,15H2,1H3,(H2,26,27)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against trypsin				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50366615 (CHEMBL1907672) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2ccc3ncnc(N)c3c2)C1=O |r| Show InChI InChI=1S/C25H25N5O4S/c1-29(35(32,33)20-7-5-17-4-6-19(34-2)12-18(17)13-20)23-9-10-30(25(23)31)14-16-3-8-22-21(11-16)24(26)28-15-27-22/h3-8,11-13,15,23H,9-10,14H2,1-2H3,(H2,26,27,28)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against trypsin				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50366615 (CHEMBL1907672) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2ccc3ncnc(N)c3c2)C1=O |r| Show InChI InChI=1S/C25H25N5O4S/c1-29(35(32,33)20-7-5-17-4-6-19(34-2)12-18(17)13-20)23-9-10-30(25(23)31)14-16-3-8-22-21(11-16)24(26)28-15-27-22/h3-8,11-13,15,23H,9-10,14H2,1-2H3,(H2,26,27,28)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor II in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50081005 (7-Methoxy-naphthalene-2-sulfonic acid [1-(2-amino-...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC1CCN(Cc2ccc3nc(N)ccc3c2)C1=O Show InChI InChI=1S/C25H24N4O4S/c1-33-20-6-3-17-4-7-21(14-19(17)13-20)34(31,32)28-23-10-11-29(25(23)30)15-16-2-8-22-18(12-16)5-9-24(26)27-22/h2-9,12-14,23,28H,10-11,15H2,1H3,(H2,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against Coagulation factor II in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair