BDBM50290609 2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-thiophen-2-yl-benzylamino)-9H-purin-2-yl]-amino}-ethanol::CHEMBL90941

SMILES: CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccs3)nc(nc12)N(CCO)CCO

InChI Key: InChIKey=UBOZOAYVSVEWAQ-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 = 50290609   

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))	BDBM50290609 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-thiophen-2-...) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccs3)nc(nc12)N(CCO)CCO Show InChI InChI=1S/C23H28N6O2S/c1-16(2)29-15-25-20-21(26-23(27-22(20)29)28(9-11-30)10-12-31)24-14-17-5-7-18(8-6-17)19-4-3-13-32-19/h3-8,13,15-16,30-31H,9-12,14H2,1-2H3,(H,24,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	600	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