BDBM50290590 2-[6-(4-Methoxy-benzylamino)-9-methyl-9H-purin-2-ylamino]-ethanol::CHEMBL90706

SMILES: COc1ccc(CNc2nc(NCCO)nc3n(C)cnc23)cc1

InChI Key: InChIKey=STRUDWLUFCRTRP-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 = 50290590   

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
CDK2/Cyclin E/G1/S-specific cyclin E2 (Homo sapiens (Human))	BDBM50290590 (2-[6-(4-Methoxy-benzylamino)-9-methyl-9H-purin-2-y...) Show SMILES COc1ccc(CNc2nc(NCCO)nc3n(C)cnc23)cc1 Show InChI InChI=1S/C16H20N6O2/c1-22-10-19-13-14(20-16(17-7-8-23)21-15(13)22)18-9-11-3-5-12(24-2)6-4-11/h3-6,10,23H,7-9H2,1-2H3,(H2,17,18,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Bioorg Med Chem Lett 7: 2697-2702 (1997) Article DOI: 10.1016/S0960-894X(97)10076-2 BindingDB Entry DOI: 10.7270/Q2FJ2H8Q
					More data for this Ligand-Target Pair