Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]' and Ligand = 'BDBM6295'   

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 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6295 (8-Cyclopentyl-6-(2-methoxy-ethoxymethyl)-2-(5-pipe...) Show SMILES COCCOCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C25H33N7O3/c1-34-12-13-35-17-19-14-18-15-28-25(30-23(18)32(24(19)33)20-4-2-3-5-20)29-22-7-6-21(16-27-22)31-10-8-26-9-11-31/h6-7,14-16,20,26H,2-5,8-13,17H2,1H3,(H,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	7.4	25
Pfizer					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				J Med Chem 48: 2388-406 (2005) Article DOI: 10.1021/jm049354h BindingDB Entry DOI: 10.7270/Q21J97Z9
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