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BDBM332448 4-(1-(2-chloro- 6-(trifluoro- methyl)benzoyl)- 6-(cyclopropyl- carboxamido)-1H-indazol-3-yl)-3-fluoro-benzoic acid::US10196354, Example 5C::US9745265, 5C

SMILES: OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(NC(=O)C4CC4)ccc23)c(F)c1

InChI Key: InChIKey=GBVSQIMQCOMFQI-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 = 332448   
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)
BDBM332448
PNG
(4-(1-(2-chloro- 6-(trifluoro- methyl)benzoyl)- 6-(...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(NC(=O)C4CC4)ccc23)c(F)c1
Show InChI InChI=1S/C26H16ClF4N3O4/c27-18-3-1-2-17(26(29,30)31)21(18)24(36)34-20-11-14(32-23(35)12-4-5-12)7-9-16(20)22(33-34)15-8-6-13(25(37)38)10-19(15)28/h1-3,6-12H,4-5H2,(H,32,35)(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 314n/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))
BDBM332448
PNG
(4-(1-(2-chloro- 6-(trifluoro- methyl)benzoyl)- 6-(...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(NC(=O)C4CC4)ccc23)c(F)c1
Show InChI InChI=1S/C26H16ClF4N3O4/c27-18-3-1-2-17(26(29,30)31)21(18)24(36)34-20-11-14(32-23(35)12-4-5-12)7-9-16(20)22(33-34)15-8-6-13(25(37)38)10-19(15)28/h1-3,6-12H,4-5H2,(H,32,35)(H,37,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 314n/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