BDBM50093397 (R){1-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-pyrrolidin-2-yl}-methanol::BDBM50113706::CHEMBL77369
SMILES: CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CO
InChI Key: InChIKey=QOYOZUYEXLCNGI-UHFFFAOYSA-N
Data: 2 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)) | BDBM50093397 ((R){1-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-pur...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie Curated by ChEMBL | Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1) | J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM50093397 ((R){1-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-pur...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.20E+5 | 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 |