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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 = 'BDBM336531'   
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


(Mus musculus)
BDBM336531
PNG
(4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-6-(3-hy...)
Show SMILES OC1CN(C1)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H17ClF3N3O4/c26-19-3-1-2-18(25(27,28)29)21(19)23(34)32-20-10-15(31-11-16(33)12-31)8-9-17(20)22(30-32)13-4-6-14(7-5-13)24(35)36/h1-10,16,33H,11-12H2,(H,35,36)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 500n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9745265 (2017)

More data for this
Ligand-Target Pair