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 = 'BDBM6370'   

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))	BDBM6370 (4-[4-(8-Cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyr...) Show SMILES Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CC3)C(=O)OC(C)(C)C)ncc12 Show InChI InChI=1S/C28H36N6O3/c1-19-17-24(35)34(22-7-5-6-8-22)25-23(19)18-29-26(31-25)30-20-9-11-21(12-10-20)32-13-15-33(16-14-32)27(36)37-28(2,3)4/h9-12,17-18,22H,5-8,13-16H2,1-4H3,(H,29,30,31)	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	425	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: 2371-87 (2005) Article DOI: 10.1021/jm049355+ BindingDB Entry DOI: 10.7270/Q2S46Q5B
					More data for this Ligand-Target Pair