Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4/G1/S-specific cyclin-E1' and Ligand = 'BDBM50458051'   

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-E1 (Homo sapiens (Human))	BDBM50458051 (CHEMBL4206061 | US10988476, Compound I-23) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCN(C)CC2)ncc1F Show InChI InChI=1S/C30H35F2N9O/c1-18(2)41-19(3)34-29-22(31)13-21(14-25(29)41)28-23(32)15-33-30(37-28)36-26-6-5-20-16-40(8-7-24(20)35-26)27(42)17-39-11-9-38(4)10-12-39/h5-6,13-15,18H,7-12,16-17H2,1-4H3,(H,33,35,36,37)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai HaiHe Pharmaceutical, Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay				Eur J Med Chem 148: 140-153 (2018) Article DOI: 10.1016/j.ejmech.2018.02.022 BindingDB Entry DOI: 10.7270/Q2154KNQ
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