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

InChI Key: InChIKey=WTWORGXHRHOEOZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112368   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50112368
PNG
(CHEMBL3609406)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)c(c(Cl)c2)-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,;2.66,-6.16,;2.65,-7.7,;1.58,-8.32,;3.98,-8.48,;5.32,-7.71,;6.39,-8.33,;5.33,-6.17,;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/C24H21ClF3NO4S/c1-3-34(31,32)18-10-8-16(9-11-18)13-22(30)29-17-12-15(2)23(20(25)14-17)19-6-4-5-7-21(19)33-24(26,27)28/h4-12,14H,3,13H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4n/an/an/an/an/an/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