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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor gamma' and Ligand = 'BDBM50461063'   
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
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50461063
PNG
(CHEMBL4226803 | US10457637, Compound 8)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)[S@@](C)(=N)=O |r|
Show InChI InChI=1S/C25H36N2O5S2/c1-5-20-6-8-22(9-7-20)27(17-19(2)3)34(29,30)23-10-11-24(25(16-23)33(4,26)28)32-18-21-12-14-31-15-13-21/h6-11,16,19,21,26H,5,12-15,17-18H2,1-4H3/t33-/m0/s1
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PC cid
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Article
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Inverse agonist activity at RARgamma (unknown origin) expressed in human HeLa-derived HG5LN cells transfected with the GAL4 DNA-binding domain fused ...

Bioorg Med Chem Lett 28: 1269-1273 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.041
BindingDB Entry DOI: 10.7270/Q2WD437Q
More data for this
Ligand-Target Pair