BDBM50404652 CHEMBL2114367
SMILES: CCCCCC[C@H]([C@@H](C)O)n1cnc2c(N)ncnc12
InChI Key: InChIKey=IOSAAWHGJUZBOG-GHMZBOCLSA-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)) | BDBM50404652 (CHEMBL2114367) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | 122 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for the inhibition of adenosine deaminase | J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |