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 = 'BDBM50545381'   

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))	BDBM50545381 (CHEMBL4649032) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)CCOCCOCCOCCNC(=O)CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C |r| Show InChI InChI=1S/C56H77F2N13O10/c1-34-40-31-62-55(67-50(40)71(38-11-8-9-12-38)53(77)47(34)36(3)72)64-44-16-15-39(30-61-44)69-21-19-68(20-22-69)33-46(74)60-18-24-80-26-28-81-27-25-79-23-17-45(73)63-37-29-43(52(76)65-48-41(57)13-10-14-42(48)58)70(32-37)54(78)49(56(4,5)6)66-51(75)35(2)59-7/h10,13-16,30-31,35,37-38,43,49,59H,8-9,11-12,17-29,32-33H2,1-7H3,(H,60,74)(H,63,73)(H,65,76)(H,66,75)(H,61,62,64,67)/t35-,37-,43-,49+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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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