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BDBM336585 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-6-(cyclopropane-carbonyl)-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-fluorobenzoic acid::US9745265, 8B

SMILES: OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(cnc23)C(=O)C2CC2)c(F)c1

InChI Key: InChIKey=CUBIWDUMSWMMRZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 336585   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM336585
PNG
(4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-6-(cycl...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(cnc23)C(=O)C2CC2)c(F)c1
Show InChI InChI=1S/C25H14ClF4N3O4/c26-16-3-1-2-15(25(28,29)30)19(16)23(35)33-18-9-13(22(34)11-4-5-11)10-31-21(18)20(32-33)14-7-6-12(24(36)37)8-17(14)27/h1-3,6-11H,4-5H2,(H,36,37)
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US Patent
n/an/a 283n/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