BindingDB logo
myBDB logout

BDBM332417 3-fluoro-4-[1- (naphthalen-1- ylcarbonyl)- 1H-indazol-3- yl]benzoic acid::US10196354, Example 1M::US9745265, 1M

SMILES: OC(=O)c1ccc(-c2nn(C(=O)c3cccc4ccccc34)c3ccccc23)c(F)c1

InChI Key: InChIKey=URJOBDIUNWPXTR-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 = 332417   
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)
BDBM332417
PNG
(3-fluoro-4-[1- (naphthalen-1- ylcarbonyl)- 1H-inda...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3cccc4ccccc34)c3ccccc23)c(F)c1
Show InChI InChI=1S/C25H15FN2O3/c26-21-14-16(25(30)31)12-13-19(21)23-20-9-3-4-11-22(20)28(27-23)24(29)18-10-5-7-15-6-1-2-8-17(15)18/h1-14H,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 335n/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))
BDBM332417
PNG
(3-fluoro-4-[1- (naphthalen-1- ylcarbonyl)- 1H-inda...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3cccc4ccccc34)c3ccccc23)c(F)c1
Show InChI InChI=1S/C25H15FN2O3/c26-21-14-16(25(30)31)12-13-19(21)23-20-9-3-4-11-22(20)28(27-23)24(29)18-10-5-7-15-6-1-2-8-17(15)18/h1-14H,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 335n/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