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BDBM336547 4-(6-(2-carboxyethylamino)-1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)-3-fluorobenzoic acid::US9745265, 6C

SMILES: OC(=O)CCNc1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O

InChI Key: InChIKey=FWXDCINMHCWFAU-UHFFFAOYSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 336547   
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)
BDBM336547
PNG
(4-(6-(2-carboxyethylamino)-1-(2-chloro-6-(trifluor...)
Show SMILES OC(=O)CCNc1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C25H16ClF4N3O5/c26-17-3-1-2-16(25(28,29)30)21(17)23(36)33-19-11-13(31-9-8-20(34)35)5-7-15(19)22(32-33)14-6-4-12(24(37)38)10-18(14)27/h1-7,10-11,31H,8-9H2,(H,34,35)(H,37,38)
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PC sid
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US Patent
n/an/a 22n/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