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 = 'BDBM50501578'   

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))	BDBM50501578 (CHEMBL4098811) Show SMILES Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCCNCC2)n1 Show InChI InChI=1S/C23H30N8S/c1-16-21(32-23(27-16)28-17-5-2-3-6-17)19-9-11-25-22(29-19)30-20-8-7-18(15-26-20)31-13-4-10-24-12-14-31/h7-9,11,15,17,24H,2-6,10,12-14H2,1H3,(H,27,28)(H,25,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	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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