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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 = 'BDBM50005528'   
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))		BDBM50005528
PNG
(CHEMBL3234271 | CHEMBL344406)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1NC(\C(=C/c2ccc(o2)-c2ccc(cc2)S(N)(=O)=O)C1=O)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O6S2/c22-21(23,24)19-17(20(29)28(27-19)13-3-8-16(9-4-13)36(26,32)33)11-14-5-10-18(34-14)12-1-6-15(7-2-12)35(25,30)31/h1-11,19,27H,(H2,25,30,31)(H2,26,32,33)/b17-11+
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 2.44E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to 507 aa) assessed as inhibition of SRC1-4 co-activator peptide recruit...

Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair