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 = 'BDBM332518'   
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)
BDBM332518
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)-4- fluoro-1H...)
Show SMILES OC(=O)c1cc(F)c(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(F)c23)c(F)c1
Show InChI InChI=1S/C24H14ClF3N2O3/c25-14-4-1-3-13(11-7-8-11)19(14)23(31)30-18-6-2-5-15(26)21(18)22(29-30)20-16(27)9-12(24(32)33)10-17(20)28/h1-6,9-11H,7-8H2,(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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))
BDBM332518
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)-4- fluoro-1H...)
Show SMILES OC(=O)c1cc(F)c(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(F)c23)c(F)c1
Show InChI InChI=1S/C24H14ClF3N2O3/c25-14-4-1-3-13(11-7-8-11)19(14)23(31)30-18-6-2-5-15(26)21(18)22(29-30)20-16(27)9-12(24(32)33)10-17(20)28/h1-6,9-11H,7-8H2,(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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