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BDBM332454 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-6-(2-oxo-imidazolidin-1-yl)-1H-indazol-3-yl)-3-fluorobenzoic acid (6A)::US10196354, Example 6A::US9745265, 6A

SMILES: OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(ccc23)N2CCNC2=O)c(F)c1

InChI Key: InChIKey=QUQZHZHXCYMLID-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 332454   
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)
BDBM332454
PNG
(4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-6-(2-ox...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(ccc23)N2CCNC2=O)c(F)c1
Show InChI InChI=1S/C25H15ClF4N4O4/c26-17-3-1-2-16(25(28,29)30)20(17)22(35)34-19-11-13(33-9-8-31-24(33)38)5-7-15(19)21(32-34)14-6-4-12(23(36)37)10-18(14)27/h1-7,10-11H,8-9H2,(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 85n/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))
BDBM332454
PNG
(4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-6-(2-ox...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(ccc23)N2CCNC2=O)c(F)c1
Show InChI InChI=1S/C25H15ClF4N4O4/c26-17-3-1-2-16(25(28,29)30)20(17)22(35)34-19-11-13(33-9-8-31-24(33)38)5-7-15(19)21(32-34)14-6-4-12(23(36)37)10-18(14)27/h1-7,10-11H,8-9H2,(H,31,38)(H,36,37)
PDB

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UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 85n/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