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BDBM336590 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-6-(3-hydroxyprop-1-ynyl)-1H-indazol-3-yl)benzoic acid::US9745265, 11A

SMILES: OCC#Cc1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=CXGPIKIGNUXFFU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 336590   
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)
BDBM336590
PNG
(4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-6-(3-hy...)
Show SMILES OCC#Cc1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H14ClF3N2O4/c26-19-5-1-4-18(25(27,28)29)21(19)23(33)31-20-13-14(3-2-12-32)6-11-17(20)22(30-31)15-7-9-16(10-8-15)24(34)35/h1,4-11,13,32H,12H2,(H,34,35)
PDB
MMDB

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PC sid
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US Patent
n/an/a 48n/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