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 = 'BDBM50545378'   

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))	BDBM50545378 (CHEMBL4638298) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1nc(C)cs1 |r| Show InChI InChI=1S/C58H78N12O10S/c1-36-35-81-54(62-36)41-14-12-40(13-15-41)38(3)63-53(75)46-30-44(72)33-69(46)56(77)51(58(5,6)7)65-48(73)18-24-78-26-28-80-29-27-79-25-19-59-49(74)34-67-20-22-68(23-21-67)43-16-17-47(60-31-43)64-57-61-32-45-37(2)50(39(4)71)55(76)70(52(45)66-57)42-10-8-9-11-42/h12-17,31-32,35,38,42,44,46,51,72H,8-11,18-30,33-34H2,1-7H3,(H,59,74)(H,63,75)(H,65,73)(H,60,61,64,66)/t38-,44+,46-,51+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	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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