Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4/G1/S-specific cyclin-D3' and Ligand = 'BDBM444591'   

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-D3 (Homo sapiens (Human))	BDBM444591 (US10662186, Compound 126 | US10988476, Compound I-...) Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1 Show InChI InChI=1S/C28H32F2N8/c1-17-32-27-21(29)12-20(13-24(27)38(17)15-18-4-5-18)26-22(30)14-31-28(35-26)34-25-7-6-19-16-37(11-10-36(2)3)9-8-23(19)33-25/h6-7,12-14,18H,4-5,8-11,15-16H2,1-3H3,(H,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 Pharmaceuticals Holding Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...				Eur J Med Chem 178: 352-364 (2019) Article DOI: 10.1016/j.ejmech.2019.06.005 BindingDB Entry DOI: 10.7270/Q20K2CTJ
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