BDBM12396 1-[5-(5-Chlorothiophen-2-yl)isoxazol-3-ylmethyl]-3-cyano-7-methyl-1H-indole-2- carboxylic Acid (1-Isopropylpiperidin-4-yl)amide::1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-3-cyano-7-methyl-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide::2-Carboxyindole Scaffold 21
SMILES: CC(C)N1CCC(CC1)NC(=O)c1c(C#N)c2cccc(C)c2n1Cc1cc(on1)-c1ccc(Cl)s1
InChI Key: InChIKey=MCLVKEPZVPUETD-UHFFFAOYSA-N
Data: 1 KI
PDB links: 1 PDB ID matches this monomer. 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 |
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Coagulation factor X (Homo sapiens (Human)) | BDBM12396 (1-[5-(5-Chlorothiophen-2-yl)isoxazol-3-ylmethyl]-3...) | 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 | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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) |