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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 = 'BDBM50108921'   
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))		BDBM50108921
PNG
(CHEMBL3596605)
Show SMILES OCC(O)CNC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl
Show InChI InChI=1S/C26H23Cl2FN2O4/c27-20-8-6-17(25(34)30-13-18(33)14-32)12-19(20)15-7-9-23-16(11-15)3-2-10-31(23)26(35)24-21(28)4-1-5-22(24)29/h1,4-9,11-12,18,32-33H,2-3,10,13-14H2,(H,30,34)
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Article
PubMed
n/an/a 750n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-acti...

Bioorg Med Chem Lett 25: 2991-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.026
BindingDB Entry DOI: 10.7270/Q2ZP47XQ
More data for this
Ligand-Target Pair