BDBM50112369 CHEMBL3609405

SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(c2)C#N)-c2ccccc2OC(F)(F)F)cc1

InChI Key: InChIKey=HICJFVXIVAPBCZ-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 = 50112369   

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
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50112369 (CHEMBL3609405) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(c2)C#N)-c2ccccc2OC(F)(F)F)cc1 |(-3.74,3.7,;-2.67,3.08,;-2.67,1.54,;-3.73,.92,;-3.74,2.16,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.66,-3.08,;1.6,-3.7,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.32,-7.71,;6.39,-8.33,;3.98,-8.48,;2.65,-7.7,;2.66,-6.16,;1.32,-8.47,;.25,-9.08,;3.98,-10.02,;2.64,-10.78,;2.63,-12.32,;3.96,-13.1,;5.3,-12.34,;5.31,-10.8,;6.65,-10.03,;7.98,-10.81,;9.05,-10.21,;7.97,-12.05,;9.04,-11.44,;,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C24H18ClF3N2O4S/c1-2-35(32,33)18-9-7-15(8-10-18)11-22(31)30-17-12-16(14-29)23(20(25)13-17)19-5-3-4-6-21(19)34-24(26,27)28/h3-10,12-13H,2,11H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay				ACS Med Chem Lett 6: 787-92 (2015) BindingDB Entry DOI: 10.7270/Q2XG9SWD
					More data for this Ligand-Target Pair