Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2' and Ligand = 'BDBM50290585'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50290585 (CHEMBL328027 | {6-[(Biphenyl-4-ylmethyl)-amino]-2-...) Show SMILES CC(C)(C)OC(=O)Cn1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(nc12)N(CCO)CCO Show InChI InChI=1S/C28H34N6O4/c1-28(2,3)38-23(37)18-34-19-30-24-25(31-27(32-26(24)34)33(13-15-35)14-16-36)29-17-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-12,19,35-36H,13-18H2,1-3H3,(H,29,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.00E+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
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