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BDBM336634 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-6-(2-methoxyethyl amino)-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-fluorobenzoic acid::US9745265, 31A

SMILES: COCCNc1cnc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O

InChI Key: InChIKey=KMGXHZZOYQXJDZ-UHFFFAOYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 336634   
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)
BDBM336634
PNG
(4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-6-(2-me...)
Show SMILES COCCNc1cnc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C24H17ClF4N4O4/c1-37-8-7-30-13-10-18-21(31-11-13)20(14-6-5-12(23(35)36)9-17(14)26)32-33(18)22(34)19-15(24(27,28)29)3-2-4-16(19)25/h2-6,9-11,30H,7-8H2,1H3,(H,35,36)
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MMDB

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PC sid
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US Patent
n/an/a 80n/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