BDBM50113681 2-{[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-cyclohexylmethyl-amino}-3-methyl-butan-1-ol::CHEMBL77119
SMILES: CC(C)[C@H](CO)N(CC1CCCCC1)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
InChI Key: InChIKey=YIYLLUOLKXLHRY-QFIPXVFZSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM50113681 (2-{[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description Binding affinity to cyclin-dependent kinase 1 (CDK1) | J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB | |||||||||||
More data for this Ligand-Target Pair |