BDBM50113725 2-Chloro-5-[2-(1-hydroxymethyl-2-methyl-propylamino)-9-isopropyl-9H-purin-6-ylamino]-benzoic acid::CHEMBL78223
SMILES: CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(c2)C(O)=O)c2ncn(C(C)C)c2n1
InChI Key: InChIKey=HNDBWQVNHAAPRA-HNNXBMFYSA-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)) | BDBM50113725 (2-Chloro-5-[2-(1-hydroxymethyl-2-methyl-propylamin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.00E+4 | 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 |