BDBM22937 1-[(2R)-4-{6-[(benzylcarbamoyl)amino]-1H-indol-1-yl}-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide::Hybrid compound 1(FR235999) derivative, 5
SMILES: NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)NCc3ccccc3)cc12
InChI Key: InChIKey=KCCUBLLGAMGDJL-HXUWFJFHSA-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 |
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Adenosine deaminase (Homo sapiens (Human)) | BDBM22937 (1-[(2R)-4-{6-[(benzylcarbamoyl)amino]-1H-indol-1-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 7.5 | -11.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Fujisawa Pharmaceutical Co., Ltd. | Assay Description The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a... | J Med Chem 47: 3730-43 (2004) Article DOI: 10.1021/jm0306374 BindingDB Entry DOI: 10.7270/Q2668BG0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |