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BDBM332424 4-{1-[(2- bromo-3- chlorophenyl) carbonyl]-1H- indazol-3-yl}- 3-fluoro- benzoic acid::US10196354, Example 1T::US9745265, 1T

SMILES: OC(=O)c1ccc(-c2nn(C(=O)c3cccc(Cl)c3Br)c3ccccc23)c(F)c1

InChI Key: InChIKey=KNXIOXOXYSMFDK-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 332424   
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)
BDBM332424
PNG
(4-{1-[(2- bromo-3- chlorophenyl) carbonyl]-1H- ind...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3cccc(Cl)c3Br)c3ccccc23)c(F)c1
Show InChI InChI=1S/C21H11BrClFN2O3/c22-18-14(5-3-6-15(18)23)20(27)26-17-7-2-1-4-13(17)19(25-26)12-9-8-11(21(28)29)10-16(12)24/h1-10H,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 159n/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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM332424
PNG
(4-{1-[(2- bromo-3- chlorophenyl) carbonyl]-1H- ind...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3cccc(Cl)c3Br)c3ccccc23)c(F)c1
Show InChI InChI=1S/C21H11BrClFN2O3/c22-18-14(5-3-6-15(18)23)20(27)26-17-7-2-1-4-13(17)19(25-26)12-9-8-11(21(28)29)10-16(12)24/h1-10H,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 159n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...


US Patent US10196354 (2019)

More data for this
Ligand-Target Pair