Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 8' and Ligand = 'BDBM50353061'   

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))	BDBM50353061 (CHEMBL4164360) Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](CC[C@]12C)N(C)C(=O)CCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)N(C)C3=O)C(=O)c12 |r| Show InChI InChI=1S/C54H71N5O9/c1-53-20-16-39(33-38(53)10-11-40-43-13-12-42(54(43,2)21-17-44(40)53)36-9-8-35-18-22-55-34-37(35)32-36)57(3)48(61)19-24-65-26-28-67-30-31-68-29-27-66-25-23-56-45-7-5-6-41-49(45)52(64)59(50(41)62)46-14-15-47(60)58(4)51(46)63/h5-9,18,22,32,34,38-40,42-44,46,56H,10-17,19-21,23-31,33H2,1-4H3/t38-,39-,40-,42+,43-,44-,46?,53-,54+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	443	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of CDK8 (unknown origin)				ACS Med Chem Lett 9: 540-545 (2018) Article DOI: 10.1021/acsmedchemlett.8b00011 BindingDB Entry DOI: 10.7270/Q2125W6Z
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