Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 8' and Ligand = 'BDBM50163778'   

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 8 (Homo sapiens (Human))	BDBM50163778 (CHEMBL3800432) Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CC1)OC(=O)NC2(C)C Show InChI InChI=1S/C22H25ClN4O4S/c1-21(2)22(31-20(28)25-21)6-8-27(9-7-22)19-16(11-24-12-17(19)23)14-4-5-18-15(10-14)13-32(29,30)26(18)3/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay				J Med Chem 59: 1078-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01685 BindingDB Entry DOI: 10.7270/Q29025P6
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