Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM7517'   

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 1 (Homo sapiens (Human))	BDBM7517 (2,6,9-Trisubstituted purine deriv. 12 | 2-{[6-(ben...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(NCC(O)c3ccccc3)nc12 Show InChI InChI=1S/C23H26N6O/c1-16(2)29-15-26-20-21(24-13-17-9-5-3-6-10-17)27-23(28-22(20)29)25-14-19(30)18-11-7-4-8-12-18/h3-12,15-16,19,30H,13-14H2,1-2H3,(H2,24,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
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