BDBM12398 1-(3-Methoxy-benzyl)-1H-indole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide::1-[(3-methoxyphenyl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide::2-Carboxyindole Scaffold 43::2-carboxyindole 12
SMILES: COc1cccc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)C(C)C)c1
InChI Key: InChIKey=GIPCBGDQVGKMPO-UHFFFAOYSA-N
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)) | BDBM12398 (1-(3-Methoxy-benzyl)-1H-indole-2-carboxylic acid (...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 89 | -9.61 | 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) | ||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM12398 (1-(3-Methoxy-benzyl)-1H-indole-2-carboxylic acid (...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 89 | 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) |