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BDBM332453 4-(1-(2-chloro- 6-(trifluoro- methyl)benzoyl)- 6-(1,3-dimethyl- ureido)-1H- indazol-3-yl)-3-fluorobenzoic::US10196354, Example 5H::US9745265, 5H

SMILES: CNC(=O)N(C)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O

InChI Key: InChIKey=PLUSZQBSIICZOQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 332453   
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)
BDBM332453
PNG
(4-(1-(2-chloro- 6-(trifluoro- methyl)benzoyl)- 6-(...)
Show SMILES CNC(=O)N(C)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C25H17ClF4N4O4/c1-31-24(38)33(2)13-7-9-15-19(11-13)34(22(35)20-16(25(28,29)30)4-3-5-17(20)26)32-21(15)14-8-6-12(23(36)37)10-18(14)27/h3-11H,1-2H3,(H,31,38)(H,36,37)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 491n/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))
BDBM332453
PNG
(4-(1-(2-chloro- 6-(trifluoro- methyl)benzoyl)- 6-(...)
Show SMILES CNC(=O)N(C)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C25H17ClF4N4O4/c1-31-24(38)33(2)13-7-9-15-19(11-13)34(22(35)20-16(25(28,29)30)4-3-5-17(20)26)32-21(15)14-8-6-12(23(36)37)10-18(14)27/h3-11H,1-2H3,(H,31,38)(H,36,37)
PDB

Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 491n/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