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BDBM332498 4-[1-{[2-chloro-6- (trifluoromethyl) phenyl]carbonyl}-6- (3-cyanophenyl)- 1H-indazol-3-yl]benzoic acid::US10196354, Example 23D::US9745265, 23D

SMILES: OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)-c1cccc(c1)C#N

InChI Key: InChIKey=ZLXRSGDRVFGXDV-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 332498   
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)
BDBM332498
PNG
(4-[1-{[2-chloro-6- (trifluoromethyl) phenyl]carbon...)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C29H15ClF3N3O3/c30-23-6-2-5-22(29(31,32)33)25(23)27(37)36-24-14-20(19-4-1-3-16(13-19)15-34)11-12-21(24)26(35-36)17-7-9-18(10-8-17)28(38)39/h1-14H,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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))
BDBM332498
PNG
(4-[1-{[2-chloro-6- (trifluoromethyl) phenyl]carbon...)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C29H15ClF3N3O3/c30-23-6-2-5-22(29(31,32)33)25(23)27(37)36-24-14-20(19-4-1-3-16(13-19)15-34)11-12-21(24)26(35-36)17-7-9-18(10-8-17)28(38)39/h1-14H,(H,38,39)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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