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BDBM50112602 CHEMBL3609390

SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(Cl)c2)-c2ccccc2)cc1

InChI Key: InChIKey=YGCUVYQCXBRDTH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112602   
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))		BDBM50112602
PNG
(CHEMBL3609390)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(Cl)c2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H20ClNO3S/c1-2-28(26,27)19-11-8-16(9-12-19)14-22(25)24-18-10-13-20(21(23)15-18)17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,24,25)
PDB

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PubMed
n/an/a 16n/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