BDBM50113689 2-[6-(2-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-ethanol::CHEMBL307367

SMILES: CC(C)n1cnc2c(Nc3ccccc3Cl)nc(NCCO)nc12

InChI Key: InChIKey=FTCYMPRTCIAHFK-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113689   

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))	BDBM50113689 (2-[6-(2-Chloro-phenylamino)-9-isopropyl-9H-purin-2...) Show SMILES CC(C)n1cnc2c(Nc3ccccc3Cl)nc(NCCO)nc12 Show InChI InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-6-4-3-5-11(12)17)21-16(18-7-8-24)22-15(13)23/h3-6,9-10,24H,7-8H2,1-2H3,(H2,18,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.30E+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