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BDBM332452 4-(1-(2-chloro- 6-(trifluoro- methyl)benzoyl)- 6-(N-methyl- methyl- sulfonamido)-1H-indazol-3-yl)-3-fluoro-benzoic acid::US10196354, Example 5G::US9745265, 5G

SMILES: CN(c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O)S(C)(=O)=O

InChI Key: InChIKey=GPEMWWDSWVCSHF-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 332452   
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)
BDBM332452
PNG
(4-(1-(2-chloro- 6-(trifluoro- methyl)benzoyl)- 6-(...)
Show SMILES CN(c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C24H16ClF4N3O5S/c1-31(38(2,36)37)13-7-9-15-19(11-13)32(22(33)20-16(24(27,28)29)4-3-5-17(20)25)30-21(15)14-8-6-12(23(34)35)10-18(14)26/h3-11H,1-2H3,(H,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.50E+3n/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))
BDBM332452
PNG
(4-(1-(2-chloro- 6-(trifluoro- methyl)benzoyl)- 6-(...)
Show SMILES CN(c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C24H16ClF4N3O5S/c1-31(38(2,36)37)13-7-9-15-19(11-13)32(22(33)20-16(24(27,28)29)4-3-5-17(20)25)30-21(15)14-8-6-12(23(34)35)10-18(14)26/h3-11H,1-2H3,(H,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.50E+3n/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