BDBM50163850 CHEMBL3798726

SMILES: CN1c2ccc(cc2CS1(=O)=O)-c1cncc(c1N1CCC2(CCNC2=O)CC1)C(F)(F)F

InChI Key: InChIKey=RDVHTWWUICGUOA-UHFFFAOYSA-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 = 50163850   

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))	BDBM50163850 (CHEMBL3798726) Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(c1N1CCC2(CCNC2=O)CC1)C(F)(F)F Show InChI InChI=1S/C22H23F3N4O3S/c1-28-18-3-2-14(10-15(18)13-33(28,31)32)16-11-26-12-17(22(23,24)25)19(16)29-8-5-21(6-9-29)4-7-27-20(21)30/h2-3,10-12H,4-9,13H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	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) BindingDB Entry DOI: 10.7270/Q29025P6
					More data for this Ligand-Target Pair