Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50009760   

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 (Homo sapiens (Human))	BDBM50087536 (3-(3-Carbamimidoyl-phenyl)-isoxazole-4-carboxylic ...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2conc2-c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C24H20N4O4S/c1-33(30,31)21-8-3-2-7-19(21)15-9-11-18(12-10-15)27-24(29)20-14-32-28-22(20)16-5-4-6-17(13-16)23(25)26/h2-14H,1H3,(H3,25,26)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50087533 (3-(3-Carbamimidoyl-phenyl)-isoxazole-4-carboxylic ...) Show SMILES NC(=N)c1cccc(c1)-c1nocc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C23H19N5O4S/c24-22(25)16-5-3-4-15(12-16)21-19(13-32-28-21)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-20(18)33(26,30)31/h1-13H,(H3,24,25)(H,27,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Oryctolagus cuniculus)	BDBM50087533 (3-(3-Carbamimidoyl-phenyl)-isoxazole-4-carboxylic ...) Show SMILES NC(=N)c1cccc(c1)-c1nocc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C23H19N5O4S/c24-22(25)16-5-3-4-15(12-16)21-19(13-32-28-21)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-20(18)33(26,30)31/h1-13H,(H3,24,25)(H,27,29)(H2,26,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against rabbit Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50087540 (3-(3-Carbamimidoyl-phenyl)-5-hydroxymethyl-isoxazo...) Show SMILES NC(=N)c1cccc(c1)-c1noc(CO)c1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C24H21N5O5S/c25-23(26)16-5-3-4-15(12-16)22-21(19(13-30)34-29-22)24(31)28-17-10-8-14(9-11-17)18-6-1-2-7-20(18)35(27,32)33/h1-12,30H,13H2,(H3,25,26)(H,28,31)(H2,27,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50087538 ((4S,5S)-3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl...) Show SMILES COC[C@H]1ON=C([C@@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-14-20-22(23(30-35-20)16-5-4-6-17(13-16)24(26)27)25(31)29-18-11-9-15(10-12-18)19-7-2-3-8-21(19)36(28,32)33/h2-13,20,22H,14H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)/t20-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50087532 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-isoxazo...) Show SMILES COCc1onc(c1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H23N5O5S/c1-34-14-20-22(23(30-35-20)16-5-4-6-17(13-16)24(26)27)25(31)29-18-11-9-15(10-12-18)19-7-2-3-8-21(19)36(28,32)33/h2-13H,14H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Oryctolagus cuniculus)	BDBM50087538 ((4S,5S)-3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl...) Show SMILES COC[C@H]1ON=C([C@@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-14-20-22(23(30-35-20)16-5-4-6-17(13-16)24(26)27)25(31)29-18-11-9-15(10-12-18)19-7-2-3-8-21(19)36(28,32)33/h2-13,20,22H,14H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)/t20-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against rabbit Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50087535 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-isoxazo...) Show SMILES COCc1onc(c1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O5S/c1-34-13-18-21(22(30-35-18)14-5-4-6-15(11-14)23(25)26)24(31)29-20-10-9-16(12-28-20)17-7-2-3-8-19(17)36(27,32)33/h2-12H,13H2,1H3,(H3,25,26)(H2,27,32,33)(H,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Oryctolagus cuniculus)	BDBM50079252 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...) Show SMILES COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-15-25(14-21(30-35-25)17-5-4-6-18(13-17)23(26)27)24(31)29-19-11-9-16(10-12-19)20-7-2-3-8-22(20)36(28,32)33/h2-13H,14-15H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against rabbit Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50079236 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C25H23N9O4S/c26-23(27)18-5-3-4-17(12-18)21-13-25(38-31-21,14-34-15-29-32-33-34)24(35)30-19-10-8-16(9-11-19)20-6-1-2-7-22(20)39(28,36)37/h1-12,15H,13-14H2,(H3,26,27)(H,30,35)(H2,28,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50087539 ((4S,5R)-3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-di...) Show SMILES C[C@H]1ON=C([C@@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N |c:3| Show InChI InChI=1S/C24H23N5O4S/c1-14-21(22(29-33-14)16-5-4-6-17(13-16)23(25)26)24(30)28-18-11-9-15(10-12-18)19-7-2-3-8-20(19)34(27,31)32/h2-14,21H,1H3,(H3,25,26)(H,28,30)(H2,27,31,32)/t14-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50087537 ((4S,5S)-3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-yl...) Show SMILES NC(=N)c1cccc(c1)C1=NO[C@H](Cn2cnnn2)[C@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C25H23N9O4S/c26-24(27)17-5-3-4-16(12-17)23-22(20(38-31-23)13-34-14-29-32-33-34)25(35)30-18-10-8-15(9-11-18)19-6-1-2-7-21(19)39(28,36)37/h1-12,14,20,22H,13H2,(H3,26,27)(H,30,35)(H2,28,36,37)/t20-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50087528 (5-Amino-3-(3-carbamimidoyl-phenyl)-isoxazole-4-car...) Show SMILES NC(=N)c1cccc(c1)-c1noc(N)c1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C23H20N6O4S/c24-21(25)15-5-3-4-14(12-15)20-19(22(26)33-29-20)23(30)28-16-10-8-13(9-11-16)17-6-1-2-7-18(17)34(27,31)32/h1-12H,26H2,(H3,24,25)(H,28,30)(H2,27,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50079252 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...) Show SMILES COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-15-25(14-21(30-35-25)17-5-4-6-18(13-17)23(26)27)24(31)29-19-11-9-16(10-12-19)20-7-2-3-8-22(20)36(28,32)33/h2-13H,14-15H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50087534 (3-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-isoxa...) Show SMILES NC(=N)c1cccc(c1)-c1noc(c1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H18F3N5O4S/c25-24(26,27)21-19(20(32-36-21)14-4-3-5-15(12-14)22(28)29)23(33)31-16-10-8-13(9-11-16)17-6-1-2-7-18(17)37(30,34)35/h1-12H,(H3,28,29)(H,31,33)(H2,30,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50079247 (3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-dihydro-is...) Show SMILES CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:3| Show InChI InChI=1S/C24H23N5O4S/c1-24(14-20(29-33-24)16-5-4-6-17(13-16)22(25)26)23(30)28-18-11-9-15(10-12-18)19-7-2-3-8-21(19)34(27,31)32/h2-13H,14H2,1H3,(H3,25,26)(H,28,30)(H2,27,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50087533 (3-(3-Carbamimidoyl-phenyl)-isoxazole-4-carboxylic ...) Show SMILES NC(=N)c1cccc(c1)-c1nocc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C23H19N5O4S/c24-22(25)16-5-3-4-15(12-16)21-19(13-32-28-21)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-20(18)33(26,30)31/h1-13H,(H3,24,25)(H,27,29)(H2,26,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50087536 (3-(3-Carbamimidoyl-phenyl)-isoxazole-4-carboxylic ...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2conc2-c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C24H20N4O4S/c1-33(30,31)21-8-3-2-7-19(21)15-9-11-18(12-10-15)27-24(29)20-14-32-28-22(20)16-5-4-6-17(13-16)23(25)26/h2-14H,1H3,(H3,25,26)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50087540 (3-(3-Carbamimidoyl-phenyl)-5-hydroxymethyl-isoxazo...) Show SMILES NC(=N)c1cccc(c1)-c1noc(CO)c1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C24H21N5O5S/c25-23(26)16-5-3-4-15(12-16)22-21(19(13-30)34-29-22)24(31)28-17-10-8-14(9-11-17)18-6-1-2-7-20(18)35(27,32)33/h1-12,30H,13H2,(H3,25,26)(H,28,31)(H2,27,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50079252 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...) Show SMILES COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-15-25(14-21(30-35-25)17-5-4-6-18(13-17)23(26)27)24(31)29-19-11-9-16(10-12-19)20-7-2-3-8-22(20)36(28,32)33/h2-13H,14-15H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50087532 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-isoxazo...) Show SMILES COCc1onc(c1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H23N5O5S/c1-34-14-20-22(23(30-35-20)16-5-4-6-17(13-16)24(26)27)25(31)29-18-11-9-15(10-12-18)19-7-2-3-8-21(19)36(28,32)33/h2-13H,14H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50079236 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C25H23N9O4S/c26-23(27)18-5-3-4-17(12-18)21-13-25(38-31-21,14-34-15-29-32-33-34)24(35)30-19-10-8-16(9-11-19)20-6-1-2-7-22(20)39(28,36)37/h1-12,15H,13-14H2,(H3,26,27)(H,30,35)(H2,28,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50087539 ((4S,5R)-3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-di...) Show SMILES C[C@H]1ON=C([C@@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N |c:3| Show InChI InChI=1S/C24H23N5O4S/c1-14-21(22(29-33-14)16-5-4-6-17(13-16)23(25)26)24(30)28-18-11-9-15(10-12-18)19-7-2-3-8-20(19)34(27,31)32/h2-14,21H,1H3,(H3,25,26)(H,28,30)(H2,27,31,32)/t14-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50087528 (5-Amino-3-(3-carbamimidoyl-phenyl)-isoxazole-4-car...) Show SMILES NC(=N)c1cccc(c1)-c1noc(N)c1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C23H20N6O4S/c24-21(25)15-5-3-4-14(12-15)20-19(22(26)33-29-20)23(30)28-16-10-8-13(9-11-16)17-6-1-2-7-18(17)34(27,31)32/h1-12H,26H2,(H3,24,25)(H,28,30)(H2,27,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50079247 (3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-dihydro-is...) Show SMILES CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:3| Show InChI InChI=1S/C24H23N5O4S/c1-24(14-20(29-33-24)16-5-4-6-17(13-16)22(25)26)23(30)28-18-11-9-15(10-12-18)19-7-2-3-8-21(19)34(27,31)32/h2-13H,14H2,1H3,(H3,25,26)(H,28,30)(H2,27,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50087537 ((4S,5S)-3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-yl...) Show SMILES NC(=N)c1cccc(c1)C1=NO[C@H](Cn2cnnn2)[C@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C25H23N9O4S/c26-24(27)17-5-3-4-16(12-17)23-22(20(38-31-23)13-34-14-29-32-33-34)25(35)30-18-10-8-15(9-11-18)19-6-1-2-7-21(19)39(28,36)37/h1-12,14,20,22H,13H2,(H3,26,27)(H,30,35)(H2,28,36,37)/t20-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50087538 ((4S,5S)-3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl...) Show SMILES COC[C@H]1ON=C([C@@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-14-20-22(23(30-35-20)16-5-4-6-17(13-16)24(26)27)25(31)29-18-11-9-15(10-12-18)19-7-2-3-8-21(19)36(28,32)33/h2-13,20,22H,14H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)/t20-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50087535 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-isoxazo...) Show SMILES COCc1onc(c1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O5S/c1-34-13-18-21(22(30-35-18)14-5-4-6-15(11-14)23(25)26)24(31)29-20-10-9-16(12-28-20)17-7-2-3-8-19(17)36(27,32)33/h2-12H,13H2,1H3,(H3,25,26)(H2,27,32,33)(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50087534 (3-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-isoxa...) Show SMILES NC(=N)c1cccc(c1)-c1noc(c1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H18F3N5O4S/c25-24(26,27)21-19(20(32-36-21)14-4-3-5-15(12-14)22(28)29)23(33)31-16-10-8-13(9-11-16)17-6-1-2-7-18(17)37(30,34)35/h1-12H,(H3,28,29)(H,31,33)(H2,30,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50087536 (3-(3-Carbamimidoyl-phenyl)-isoxazole-4-carboxylic ...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2conc2-c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C24H20N4O4S/c1-33(30,31)21-8-3-2-7-19(21)15-9-11-18(12-10-15)27-24(29)20-14-32-28-22(20)16-5-4-6-17(13-16)23(25)26/h2-14H,1H3,(H3,25,26)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079236 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C25H23N9O4S/c26-23(27)18-5-3-4-17(12-18)21-13-25(38-31-21,14-34-15-29-32-33-34)24(35)30-19-10-8-16(9-11-19)20-6-1-2-7-22(20)39(28,36)37/h1-12,15H,13-14H2,(H3,26,27)(H,30,35)(H2,28,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50087540 (3-(3-Carbamimidoyl-phenyl)-5-hydroxymethyl-isoxazo...) Show SMILES NC(=N)c1cccc(c1)-c1noc(CO)c1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C24H21N5O5S/c25-23(26)16-5-3-4-15(12-16)22-21(19(13-30)34-29-22)24(31)28-17-10-8-14(9-11-17)18-6-1-2-7-20(18)35(27,32)33/h1-12,30H,13H2,(H3,25,26)(H,28,31)(H2,27,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50087533 (3-(3-Carbamimidoyl-phenyl)-isoxazole-4-carboxylic ...) Show SMILES NC(=N)c1cccc(c1)-c1nocc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C23H19N5O4S/c24-22(25)16-5-3-4-15(12-16)21-19(13-32-28-21)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-20(18)33(26,30)31/h1-13H,(H3,24,25)(H,27,29)(H2,26,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079252 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...) Show SMILES COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-15-25(14-21(30-35-25)17-5-4-6-18(13-17)23(26)27)24(31)29-19-11-9-16(10-12-19)20-7-2-3-8-22(20)36(28,32)33/h2-13H,14-15H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50087532 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-isoxazo...) Show SMILES COCc1onc(c1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H23N5O5S/c1-34-14-20-22(23(30-35-20)16-5-4-6-17(13-16)24(26)27)25(31)29-18-11-9-15(10-12-18)19-7-2-3-8-21(19)36(28,32)33/h2-13H,14H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50087528 (5-Amino-3-(3-carbamimidoyl-phenyl)-isoxazole-4-car...) Show SMILES NC(=N)c1cccc(c1)-c1noc(N)c1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C23H20N6O4S/c24-21(25)15-5-3-4-14(12-15)20-19(22(26)33-29-20)23(30)28-16-10-8-13(9-11-16)17-6-1-2-7-18(17)34(27,31)32/h1-12H,26H2,(H3,24,25)(H,28,30)(H2,27,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50087539 ((4S,5R)-3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-di...) Show SMILES C[C@H]1ON=C([C@@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N |c:3| Show InChI InChI=1S/C24H23N5O4S/c1-14-21(22(29-33-14)16-5-4-6-17(13-16)23(25)26)24(30)28-18-11-9-15(10-12-18)19-7-2-3-8-20(19)34(27,31)32/h2-14,21H,1H3,(H3,25,26)(H,28,30)(H2,27,31,32)/t14-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50087538 ((4S,5S)-3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl...) Show SMILES COC[C@H]1ON=C([C@@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-14-20-22(23(30-35-20)16-5-4-6-17(13-16)24(26)27)25(31)29-18-11-9-15(10-12-18)19-7-2-3-8-21(19)36(28,32)33/h2-13,20,22H,14H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)/t20-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50087537 ((4S,5S)-3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-yl...) Show SMILES NC(=N)c1cccc(c1)C1=NO[C@H](Cn2cnnn2)[C@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C25H23N9O4S/c26-24(27)17-5-3-4-16(12-17)23-22(20(38-31-23)13-34-14-29-32-33-34)25(35)30-18-10-8-15(9-11-18)19-6-1-2-7-21(19)39(28,36)37/h1-12,14,20,22H,13H2,(H3,26,27)(H,30,35)(H2,28,36,37)/t20-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079247 (3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-dihydro-is...) Show SMILES CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:3| Show InChI InChI=1S/C24H23N5O4S/c1-24(14-20(29-33-24)16-5-4-6-17(13-16)22(25)26)23(30)28-18-11-9-15(10-12-18)19-7-2-3-8-21(19)34(27,31)32/h2-13H,14H2,1H3,(H3,25,26)(H,28,30)(H2,27,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50087534 (3-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-isoxa...) Show SMILES NC(=N)c1cccc(c1)-c1noc(c1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H18F3N5O4S/c25-24(26,27)21-19(20(32-36-21)14-4-3-5-15(12-14)22(28)29)23(33)31-16-10-8-13(9-11-16)17-6-1-2-7-18(17)37(30,34)35/h1-12H,(H3,28,29)(H,31,33)(H2,30,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50087535 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-isoxazo...) Show SMILES COCc1onc(c1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O5S/c1-34-13-18-21(22(30-35-18)14-5-4-6-15(11-14)23(25)26)24(31)29-20-10-9-16(12-28-20)17-7-2-3-8-19(17)36(27,32)33/h2-12H,13H2,1H3,(H3,25,26)(H2,27,32,33)(H,28,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair