Found 5 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM12372' 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)) | BDBM12372
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 3 | -48.6 | n/a | n/a | n/a | n/a | n/a | 7.8 | 25 |
Aventis Pharma
| Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s... |
J Med Chem 48: 4511-25 (2005)
Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12372
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 3 | -48.6 | n/a | n/a | n/a | n/a | n/a | 7.8 | 25 |
Aventis Pharma Deutschland GmbH
| Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s... |
Bioorg Med Chem Lett 14: 4197-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.019 BindingDB Entry DOI: 10.7270/Q2610XKM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12372
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00865 BindingDB Entry DOI: 10.7270/Q2BP06RZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12372
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
J Med Chem 53: 6243-74 (2010)
Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12372
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 3 | -48.6 | n/a | n/a | n/a | n/a | n/a | 7.8 | 25 |
Aventis Pharma Deutschland GmbH
| Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s... |
Bioorg Med Chem Lett 14: 4191-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.020 BindingDB Entry DOI: 10.7270/Q22805WQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |