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BDBM332525 4-(6-(2-amino-2-oxoethyl)-1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-fluorobenzoic acid::US10196354, Example 37A::US9745265, 37A

SMILES: NC(=O)Cc1cnc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O

InChI Key: InChIKey=SNVCUFWHSXCXFG-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 332525   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM332525
PNG
(4-(6-(2-amino-2-oxoethyl)-1-(2-chloro-6-(trifluoro...)
Show SMILES NC(=O)Cc1cnc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C23H13ClF4N4O4/c24-14-3-1-2-13(23(26,27)28)18(14)21(34)32-16-6-10(7-17(29)33)9-30-20(16)19(31-32)12-5-4-11(22(35)36)8-15(12)25/h1-6,8-9H,7H2,(H2,29,33)(H,35,36)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 81n/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)


BindingDB Entry DOI: 10.7270/Q29G5PW2
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM332525
PNG
(4-(6-(2-amino-2-oxoethyl)-1-(2-chloro-6-(trifluoro...)
Show SMILES NC(=O)Cc1cnc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C23H13ClF4N4O4/c24-14-3-1-2-13(23(26,27)28)18(14)21(34)32-16-6-10(7-17(29)33)9-30-20(16)19(31-32)12-5-4-11(22(35)36)8-15(12)25/h1-6,8-9H,7H2,(H2,29,33)(H,35,36)
PDB

Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 81n/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)


BindingDB Entry DOI: 10.7270/Q2M90BSR
More data for this
Ligand-Target Pair