Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50388879'   

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))	BDBM50388879 (CHEMBL2062937) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1nc(Cl)cc(n1)-c1c[nH]c2ncccc12 |r,wU:6.9,wD:3.2,(39.49,-29.31,;40.58,-28.23,;42.07,-28.64,;40.19,-26.75,;39.91,-25.24,;38.09,-25.26,;37.12,-24.48,;37.39,-26,;39.14,-25.95,;36.32,-23.16,;37.07,-21.81,;38.61,-21.79,;39.36,-20.43,;40.9,-20.4,;38.56,-19.12,;37.03,-19.15,;36.28,-20.5,;36.25,-17.83,;34.71,-17.7,;34.37,-16.2,;35.69,-15.41,;35.99,-13.89,;37.45,-13.39,;38.6,-14.42,;38.3,-15.92,;36.85,-16.42,)| Show InChI InChI=1S/C19H23ClN6/c1-26(2)13-7-5-12(6-8-13)23-19-24-16(10-17(20)25-19)15-11-22-18-14(15)4-3-9-21-18/h3-4,9-13H,5-8H2,1-2H3,(H,21,22)(H,23,24,25)/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+4	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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