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 = 'BDBM5598'   

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))	BDBM5598 (3-(4-Methylphenyl)-5-(acetamido)indeno[1,2-c]pyraz...) Show SMILES CC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H15N3O2/c1-10-6-8-12(9-7-10)17-16-18(22-21-17)13-4-3-5-14(20-11(2)23)15(13)19(16)24/h3-9H,1-2H3,(H,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
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