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BDBM332501 4-[1-{[2-chloro-6- (trifluoromethyl) phenyl]carbonyl}-6- (2-fluorophenyl)- 1H-indazol-3-yl]benzoic acid::US10196354, Example 23G::US9745265, 23G

SMILES: OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)-c1ccccc1F

InChI Key: InChIKey=MSZHHRWWKYFYFC-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 332501   
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)
BDBM332501
PNG
(4-[1-{[2-chloro-6- (trifluoromethyl) phenyl]carbon...)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)-c1ccccc1F
Show InChI InChI=1S/C28H15ClF4N2O3/c29-21-6-3-5-20(28(31,32)33)24(21)26(36)35-23-14-17(18-4-1-2-7-22(18)30)12-13-19(23)25(34-35)15-8-10-16(11-9-15)27(37)38/h1-14H,(H,37,38)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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))
BDBM332501
PNG
(4-[1-{[2-chloro-6- (trifluoromethyl) phenyl]carbon...)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)-c1ccccc1F
Show InChI InChI=1S/C28H15ClF4N2O3/c29-21-6-3-5-20(28(31,32)33)24(21)26(36)35-23-14-17(18-4-1-2-7-22(18)30)12-13-19(23)25(34-35)15-8-10-16(11-9-15)27(37)38/h1-14H,(H,37,38)
PDB

Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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