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BDBM332425 3-fluoro-4-(1- (tetrahydro- furan-2- carbonyl)-1H- indazol-3-yl) benzoic acid::US10196354, Example 1U::US9745265, 1U

SMILES: OC(=O)c1ccc(-c2nn(C(=O)C3CCCO3)c3ccccc23)c(F)c1

InChI Key: InChIKey=RQLYGRRZWKTFLU-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 332425   
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)
BDBM332425
PNG
(3-fluoro-4-(1- (tetrahydro- furan-2- carbonyl)-1H-...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)C3CCCO3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C19H15FN2O4/c20-14-10-11(19(24)25)7-8-12(14)17-13-4-1-2-5-15(13)22(21-17)18(23)16-6-3-9-26-16/h1-2,4-5,7-8,10,16H,3,6,9H2,(H,24,25)
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))
BDBM332425
PNG
(3-fluoro-4-(1- (tetrahydro- furan-2- carbonyl)-1H-...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)C3CCCO3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C19H15FN2O4/c20-14-10-11(19(24)25)7-8-12(14)17-13-4-1-2-5-15(13)22(21-17)18(23)16-6-3-9-26-16/h1-2,4-5,7-8,10,16H,3,6,9H2,(H,24,25)
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