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 = 'BDBM332456'   
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


(Homo sapiens (Human))
BDBM332456
PNG
(4-(6-(2-carboxyethylamino)-1-(2-chloro-6-(trifluor...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(ccc23)N2CCC2=O)c(F)c1
Show InChI InChI=1S/C25H14ClF4N3O4/c26-17-3-1-2-16(25(28,29)30)21(17)23(35)33-19-11-13(32-9-8-20(32)34)5-7-15(19)22(31-33)14-6-4-12(24(36)37)10-18(14)27/h1-7,10-11H,8-9H2,(H,36,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/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
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM332456
PNG
(4-(6-(2-carboxyethylamino)-1-(2-chloro-6-(trifluor...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(ccc23)N2CCC2=O)c(F)c1
Show InChI InChI=1S/C25H14ClF4N3O4/c26-17-3-1-2-16(25(28,29)30)21(17)23(35)33-19-11-13(32-9-8-20(32)34)5-7-15(19)22(31-33)14-6-4-12(24(36)37)10-18(14)27/h1-7,10-11H,8-9H2,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 25n/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