BDBM50113737 2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-ylamino]-3-methyl-butan-1-ol::CHEMBL80898

SMILES: COc1ccc(CNc2nc(N[C@@H](CO)C(C)C)nc3n(cnc23)C(C)C)cc1

InChI Key: InChIKey=DVQTWVBGJXZMTH-KRWDZBQOSA-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 = 50113737   

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))	BDBM50113737 (2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...) Show SMILES COc1ccc(CNc2nc(N[C@@H](CO)C(C)C)nc3n(cnc23)C(C)C)cc1 Show InChI InChI=1S/C21H30N6O2/c1-13(2)17(11-28)24-21-25-19(18-20(26-21)27(12-23-18)14(3)4)22-10-15-6-8-16(29-5)9-7-15/h6-9,12-14,17,28H,10-11H2,1-5H3,(H2,22,24,25,26)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.30E+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