BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM332514'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM332514
PNG
(4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-2-methy...)
Show SMILES Cc1c(-c2ccc(cc2F)C(O)=O)c2ccccc2n1C(=O)c1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1S/C24H14ClF4NO3/c1-12-20(14-10-9-13(23(32)33)11-18(14)26)15-5-2-3-8-19(15)30(12)22(31)21-16(24(27,28)29)6-4-7-17(21)25/h2-11H,1H3,(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/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))
BDBM332514
PNG
(4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-2-methy...)
Show SMILES Cc1c(-c2ccc(cc2F)C(O)=O)c2ccccc2n1C(=O)c1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1S/C24H14ClF4NO3/c1-12-20(14-10-9-13(23(32)33)11-18(14)26)15-5-2-3-8-19(15)30(12)22(31)21-16(24(27,28)29)6-4-7-17(21)25/h2-11H,1H3,(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/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