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 = 'BDBM50001542'   

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))	BDBM50001542 (CHEMBL3237707) Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(45.37,-36.01,;44.9,-34.54,;45.94,-33.4,;45.47,-31.93,;43.97,-31.61,;42.93,-32.75,;43.4,-34.21,;43.49,-30.15,;44.4,-28.9,;45.93,-28.74,;46.56,-27.34,;45.65,-26.08,;44.12,-26.25,;43.5,-27.65,;42.03,-28.12,;40.68,-27.36,;39.36,-28.13,;39.37,-29.66,;38.04,-30.44,;38.04,-31.98,;39.37,-32.73,;39.38,-34.27,;38.05,-35.05,;36.71,-34.28,;36.71,-32.74,;38.06,-36.59,;36.72,-37.36,;36.73,-38.89,;38.06,-39.67,;39.39,-38.89,;39.39,-37.35,;40.7,-30.43,;42.02,-29.67,)| Show InChI InChI=1S/C24H29N9/c1-16-2-4-17(5-3-16)33-20-15-26-9-8-18(20)19-14-27-24(29-23(19)33)28-21-6-7-22(31-30-21)32-12-10-25-11-13-32/h6-9,14-17,25H,2-5,10-13H2,1H3,(H,27,28,29,30)/t16-,17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP				J Med Chem 57: 3430-49 (2014) Article DOI: 10.1021/jm500118j BindingDB Entry DOI: 10.7270/Q2BK1DV4
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