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BDBM336588 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-6-(5-methyloxazol-2-yl)-1H-indazol-3-yl)benzoate::US9745265, 9A

SMILES: Cc1cnc(o1)-c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C([O-])=O

InChI Key: InChIKey=QZUPDRDWKANKTI-UHFFFAOYSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 336588   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM336588
PNG
(4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-6-(5-me...)
Show SMILES Cc1cnc(o1)-c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C26H15ClF3N3O4/c1-13-12-31-23(37-13)16-9-10-17-20(11-16)33(32-22(17)14-5-7-15(8-6-14)25(35)36)24(34)21-18(26(28,29)30)3-2-4-19(21)27/h2-12H,1H3,(H,35,36)/p-1
PDB
MMDB

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US Patent
n/an/a 63n/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)


BindingDB Entry DOI: 10.7270/Q29G5PW2
More data for this
Ligand-Target Pair