BDBM50154942 CHEMBL3775076

SMILES: Cn1ncc2cc(Cc3n[nH]c4ccc(cc34)C(=O)N3CCC(F)(F)C3)ccc12

InChI Key: InChIKey=LJDCQQGXLNPEAO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50154942   

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))	BDBM50154942 (CHEMBL3775076) Show SMILES Cn1ncc2cc(Cc3n[nH]c4ccc(cc34)C(=O)N3CCC(F)(F)C3)ccc12 Show InChI InChI=1S/C21H19F2N5O/c1-27-19-5-2-13(8-15(19)11-24-27)9-18-16-10-14(3-4-17(16)25-26-18)20(29)28-7-6-21(22,23)12-28/h2-5,8,10-11H,6-7,9,12H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CDK8 (unknown origin) expressed in 7dF3 clone of human HEK293 cells preincubated for 2 hrs followed by addition of beta-estradiol by lu...				Bioorg Med Chem Lett 26: 1443-51 (2016) BindingDB Entry DOI: 10.7270/Q2NZ89G6
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50154942 (CHEMBL3775076) Show SMILES Cn1ncc2cc(Cc3n[nH]c4ccc(cc34)C(=O)N3CCC(F)(F)C3)ccc12 Show InChI InChI=1S/C21H19F2N5O/c1-27-19-5-2-13(8-15(19)11-24-27)9-18-16-10-14(3-4-17(16)25-26-18)20(29)28-7-6-21(22,23)12-28/h2-5,8,10-11H,6-7,9,12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Displacement of dye-labeled ATP competitive probe from recombinant human CDK8/Cyclin C incubated for 20 mins by Alexa647 probe-based FRET assay				Bioorg Med Chem Lett 26: 1443-51 (2016) BindingDB Entry DOI: 10.7270/Q2NZ89G6
					More data for this Ligand-Target Pair