Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50388877'   

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))	BDBM50388877 (CHEMBL2062936) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Cl)cc(n1)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(29.96,-30.16,;29.85,-28.62,;29.57,-27.1,;27.75,-27.13,;26.77,-26.34,;27.05,-27.87,;28.79,-27.81,;25.98,-25.03,;26.73,-23.68,;28.27,-23.66,;29.01,-22.3,;30.55,-22.27,;28.22,-20.99,;26.69,-21.02,;25.94,-22.36,;25.9,-19.71,;24.37,-19.57,;24.02,-18.07,;25.34,-17.28,;25.64,-15.76,;27.1,-15.27,;28.26,-16.29,;27.96,-17.79,;26.5,-18.29,)| Show InChI InChI=1S/C17H18ClN5O/c18-15-8-14(13-9-20-16-12(13)2-1-7-19-16)22-17(23-15)21-10-3-5-11(24)6-4-10/h1-2,7-11,24H,3-6H2,(H,19,20)(H,21,22,23)/t10-,11-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CDC2				ACS Med Chem Lett 3: 383-386 (2012) Article DOI: 10.1021/ml300012r BindingDB Entry DOI: 10.7270/Q2B56KTH
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