BDBM22927 1-[(2R)-4-(6-acetamido-1H-indol-1-yl)-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide::Hybrid compound 1(FR235999) derivative, 4a
SMILES: CC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1
InChI Key: InChIKey=SAPHFHBWYNSYKG-OAHLLOKOSA-N
Data: 1 KI
PDB links: 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine deaminase (Homo sapiens (Human)) | BDBM22927 (1-[(2R)-4-(6-acetamido-1H-indol-1-yl)-1-hydroxybut...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.30E+3 | -7.94 | 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 |