Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50093418'   

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))	BDBM50093418 (1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...) Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C#CC2(O)CCCCCC2)cc1 Show InChI InChI=1S/C25H31N5O2/c1-18(2)30-17-27-22-23(26-16-19-8-10-20(32-3)11-9-19)28-21(29-24(22)30)12-15-25(31)13-6-4-5-7-14-25/h8-11,17-18,31H,4-7,13-14,16H2,1-3H3,(H,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	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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