BDBM50459996 CHEMBL4227266

SMILES: CCN1CCN(Cc2ccc(NC(=O)N[C@@H]3CCN(C3)c3ccnc(NC)n3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=MSMMOWGLNAZZPB-LJQANCHMSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50459996   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50459996 (CHEMBL4227266) Show SMILES CCN1CCN(Cc2ccc(NC(=O)N[C@@H]3CCN(C3)c3ccnc(NC)n3)cc2C(F)(F)F)CC1 |r| Show InChI InChI=1S/C24H33F3N8O/c1-3-33-10-12-34(13-11-33)15-17-4-5-18(14-20(17)24(25,26)27)30-23(36)31-19-7-9-35(16-19)21-6-8-29-22(28-2)32-21/h4-6,8,14,19H,3,7,9-13,15-16H2,1-2H3,(H,28,29,32)(H2,30,31,36)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK8 (unknown origin)				J Med Chem 61: 5073-5092 (2018) Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B
					More data for this Ligand-Target Pair