Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50010579   

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))	BDBM50096459 (1-(3-Carbamimidoyl-benzyl)-4-hydroxy-1H-indole-2-c...) Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C24H20Cl2N4O2/c25-17-8-15(9-18(26)10-17)12-29-24(32)21-11-19-20(5-2-6-22(19)31)30(21)13-14-3-1-4-16(7-14)23(27)28/h1-11,31H,12-13H2,(H3,27,28)(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against serine protease factor Xa (fXa) was determined				Bioorg Med Chem Lett 11: 227-30 (2001) BindingDB Entry DOI: 10.7270/Q2KD1X68
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13866 (3-amidinobenzylindole carboxamide 50 | CHEMBL30744...) Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1 Show InChI InChI=1S/C25H24N6O2/c26-23(27)17-6-1-4-15(10-17)13-30-25(33)21-12-19-20(8-3-9-22(19)32)31(21)14-16-5-2-7-18(11-16)24(28)29/h1-12,32H,13-14H2,(H3,26,27)(H3,28,29)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against serine protease factor Xa (fXa) was determined				Bioorg Med Chem Lett 11: 227-30 (2001) BindingDB Entry DOI: 10.7270/Q2KD1X68
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13862 (1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dimethyl...) Show SMILES Cc1cc(C)cc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1 Show InChI InChI=1S/C26H26N4O2/c1-16-9-17(2)11-19(10-16)14-29-26(32)23-13-21-22(7-4-8-24(21)31)30(23)15-18-5-3-6-20(12-18)25(27)28/h3-13,31H,14-15H2,1-2H3,(H3,27,28)(H,29,32)	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
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against serine protease factor Xa (fXa) was determined				Bioorg Med Chem Lett 11: 227-30 (2001) BindingDB Entry DOI: 10.7270/Q2KD1X68
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13897 (2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...) Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C27H29N5O2/c1-32(2,3)22-9-7-18(8-10-22)16-30-27(34)25-15-21-14-23(33)11-12-24(21)31(25)17-19-5-4-6-20(13-19)26(28)29/h4-15H,16-17H2,1-3H3,(H4-,28,29,30,33,34)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against serine protease factor Xa (fXa) was determined				Bioorg Med Chem Lett 11: 227-30 (2001) BindingDB Entry DOI: 10.7270/Q2KD1X68
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13865 (3-amidinobenzylindole carboxamide 49 | 5-amino-N,1...) Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(c2)C(N)=N)c1 Show InChI InChI=1S/C25H25N7O/c26-20-7-8-21-19(11-20)12-22(32(21)14-16-4-2-6-18(10-16)24(29)30)25(33)31-13-15-3-1-5-17(9-15)23(27)28/h1-12H,13-14,26H2,(H3,27,28)(H3,29,30)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against serine protease factor Xa (fXa) was determined				Bioorg Med Chem Lett 11: 227-30 (2001) BindingDB Entry DOI: 10.7270/Q2KD1X68
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13881 (1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(3-...) Show SMILES Cc1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1 Show InChI InChI=1S/C25H24N4O2/c1-16-5-2-6-17(11-16)14-28-25(31)22-13-20-21(9-4-10-23(20)30)29(22)15-18-7-3-8-19(12-18)24(26)27/h2-13,30H,14-15H2,1H3,(H3,26,27)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against serine protease factor Xa (fXa) was determined				Bioorg Med Chem Lett 11: 227-30 (2001) BindingDB Entry DOI: 10.7270/Q2KD1X68
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13873 (1-[(3-carbamimidoylphenyl)methyl]-N-[(3-chlorophen...) Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc(Cl)c2)c1 Show InChI InChI=1S/C24H21ClN4O2/c25-18-7-2-4-15(11-18)13-28-24(31)21-12-19-20(8-3-9-22(19)30)29(21)14-16-5-1-6-17(10-16)23(26)27/h1-12,30H,13-14H2,(H3,26,27)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	262	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against serine protease factor Xa (fXa) was determined				Bioorg Med Chem Lett 11: 227-30 (2001) BindingDB Entry DOI: 10.7270/Q2KD1X68
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM13862 (1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dimethyl...) Show SMILES Cc1cc(C)cc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1 Show InChI InChI=1S/C26H26N4O2/c1-16-9-17(2)11-19(10-16)14-29-26(32)23-13-21-22(7-4-8-24(21)31)30(23)15-18-5-3-6-20(12-18)25(27)28/h3-13,31H,14-15H2,1-2H3,(H3,27,28)(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against thrombin was determined				Bioorg Med Chem Lett 11: 227-30 (2001) BindingDB Entry DOI: 10.7270/Q2KD1X68
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13843 (1-[(3-carbamimidoylphenyl)methyl]-N-[2-(3-chloroph...) Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCc2cccc(Cl)c2)c1 Show InChI InChI=1S/C25H23ClN4O2/c26-19-7-2-4-16(13-19)10-11-29-25(32)22-14-20-21(8-3-9-23(20)31)30(22)15-17-5-1-6-18(12-17)24(27)28/h1-9,12-14,31H,10-11,15H2,(H3,27,28)(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	707	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against serine protease factor Xa (fXa) was determined				Bioorg Med Chem Lett 11: 227-30 (2001) BindingDB Entry DOI: 10.7270/Q2KD1X68
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50096459 (1-(3-Carbamimidoyl-benzyl)-4-hydroxy-1H-indole-2-c...) Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C24H20Cl2N4O2/c25-17-8-15(9-18(26)10-17)12-29-24(32)21-11-19-20(5-2-6-22(19)31)30(21)13-14-3-1-4-16(7-14)23(27)28/h1-11,31H,12-13H2,(H3,27,28)(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	771	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against thrombin was determined				Bioorg Med Chem Lett 11: 227-30 (2001) BindingDB Entry DOI: 10.7270/Q2KD1X68
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13858 (1-[(3-carbamimidoylphenyl)methyl]-N-(3,5-dichlorop...) Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C23H18Cl2N4O2/c24-15-8-16(25)10-17(9-15)28-23(31)20-11-18-19(5-2-6-21(18)30)29(20)12-13-3-1-4-14(7-13)22(26)27/h1-11,30H,12H2,(H3,26,27)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	798	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against serine protease factor Xa (fXa) was determined				Bioorg Med Chem Lett 11: 227-30 (2001) BindingDB Entry DOI: 10.7270/Q2KD1X68
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM13866 (3-amidinobenzylindole carboxamide 50 | CHEMBL30744...) Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1 Show InChI InChI=1S/C25H24N6O2/c26-23(27)17-6-1-4-15(10-17)13-30-25(33)21-12-19-20(8-3-9-22(19)32)31(21)14-16-5-2-7-18(11-16)24(28)29/h1-12,32H,13-14H2,(H3,26,27)(H3,28,29)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against thrombin was determined				Bioorg Med Chem Lett 11: 227-30 (2001) BindingDB Entry DOI: 10.7270/Q2KD1X68
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM13897 (2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...) Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C27H29N5O2/c1-32(2,3)22-9-7-18(8-10-22)16-30-27(34)25-15-21-14-23(33)11-12-24(21)31(25)17-19-5-4-6-20(13-19)26(28)29/h4-15H,16-17H2,1-3H3,(H4-,28,29,30,33,34)/p+1	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
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against thrombin was determined				Bioorg Med Chem Lett 11: 227-30 (2001) BindingDB Entry DOI: 10.7270/Q2KD1X68
					More data for this Ligand-Target Pair