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' and Ligand = 'BDBM50501604'   

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 (Homo sapiens (Human))	BDBM50501604 (CHEMBL4084985) Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 Show InChI InChI=1S/C24H32N8S/c1-17-22(33-24(27-17)31(3)18-6-4-5-7-18)20-10-11-25-23(28-20)29-21-9-8-19(16-26-21)32-14-12-30(2)13-15-32/h8-11,16,18H,4-7,12-15H2,1-3H3,(H,25,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK4/cyclin D1 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
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