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 = 'BDBM6742'   

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))	BDBM6742 (1,7-Annulated indolocarbazole deriv. 13Aa | 25-(hy...) Show SMILES OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n1c23 Show InChI InChI=1S/C24H17N3O3/c28-10-12-9-8-11-4-3-6-14-17-19-18(23(29)26-24(19)30)16-13-5-1-2-7-15(13)25-20(16)22(17)27(12)21(11)14/h1-7,12,25,28H,8-10H2,(H,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3057-61 (2004) Article DOI: 10.1016/j.bmcl.2004.04.033 BindingDB Entry DOI: 10.7270/Q2KD1W3H
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