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 = 'BDBM50545382'   

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))	BDBM50545382 (CHEMBL4646450) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CCCCNC(=O)CNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C43H49N11O7/c1-25-30-23-47-43(50-38(30)53(27-8-3-4-9-27)41(60)36(25)26(2)55)48-33-14-12-28(22-46-33)52-20-18-51(19-21-52)17-6-5-16-44-35(57)24-45-31-11-7-10-29-37(31)42(61)54(40(29)59)32-13-15-34(56)49-39(32)58/h7,10-12,14,22-23,27,32,45H,3-6,8-9,13,15-21,24H2,1-2H3,(H,44,57)(H,49,56,58)(H,46,47,48,50)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
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