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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 332426   
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)
BDBM332426
PNG
(4-(1-(2-chloro- 6-vinyl- benzoyl)-1H- pyrazolo[4,3...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C=C)c3cccnc23)c(F)c1
Show InChI InChI=1S/C22H13ClFN3O3/c1-2-12-5-3-6-15(23)18(12)21(28)27-17-7-4-10-25-20(17)19(26-27)14-9-8-13(22(29)30)11-16(14)24/h2-11H,1H2,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/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))
BDBM332426
PNG
(4-(1-(2-chloro- 6-vinyl- benzoyl)-1H- pyrazolo[4,3...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C=C)c3cccnc23)c(F)c1
Show InChI InChI=1S/C22H13ClFN3O3/c1-2-12-5-3-6-15(23)18(12)21(28)27-17-7-4-10-25-20(17)19(26-27)14-9-8-13(22(29)30)11-16(14)24/h2-11H,1H2,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/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