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BDBM12372 1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide::2-Carboxyindole Scaffold 1::2-carboxyindole 22::2-carboxyindole-based inhibitor 10
SMILES: CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
InChI Key: InChIKey=MMGXOGPDBICRQF-UHFFFAOYSA-N
Data: 6 KI
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 3 | -11.6 | 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...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 3 | -11.6 | 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...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 3 | -11.6 | 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) | ||||||||||||
| Prothrombin (Homo sapiens (Human)) | BDBM12372 (1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.76E+3 | -7.58 | 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 thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge... | 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 | |||||||||||||
| Prothrombin (Homo sapiens (Human)) | BDBM12372 (1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.76E+3 | -7.58 | 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 thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge... | 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 | |||||||||||||
