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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50112371'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50112371
PNG
(CHEMBL3609403)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(c2)-c2ccno2)-c2ccccc2OC(F)(F)F)cc1
Show InChI InChI=1S/C26H21F3N2O5S/c1-2-37(33,34)19-10-7-17(8-11-19)15-25(32)31-18-9-12-20(22(16-18)24-13-14-30-36-24)21-5-3-4-6-23(21)35-26(27,28)29/h3-14,16H,2,15H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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)


Article DOI: 10.1021/acsmedchemlett.5b00122
BindingDB Entry DOI: 10.7270/Q2XG9SWD
More data for this
Ligand-Target Pair