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 = 'BDBM332450'   
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)
BDBM332450
PNG
(4-(1-(2-chloro- 6-(trifluoro- methyl)benzoyl)- 6-(...)
Show SMILES CNC(=O)Nc1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C24H15ClF4N4O4/c1-30-23(37)31-12-6-8-14-18(10-12)33(21(34)19-15(24(27,28)29)3-2-4-16(19)25)32-20(14)13-7-5-11(22(35)36)9-17(13)26/h2-10H,1H3,(H,35,36)(H2,30,31,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 64n/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))
BDBM332450
PNG
(4-(1-(2-chloro- 6-(trifluoro- methyl)benzoyl)- 6-(...)
Show SMILES CNC(=O)Nc1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C24H15ClF4N4O4/c1-30-23(37)31-12-6-8-14-18(10-12)33(21(34)19-15(24(27,28)29)3-2-4-16(19)25)32-20(14)13-7-5-11(22(35)36)9-17(13)26/h2-10H,1H3,(H,35,36)(H2,30,31,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 64n/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