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BDBM332485 4-(1-(2-chloro-6-trifluoromethylbenzoyl)-6-(thiazol-2-yl)-1H-indazol-3-yl)benzoic acid (22A)::US10196354, Example 22A::US9745265, 22A

SMILES: OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)-c1nccs1

InChI Key: InChIKey=MJDRNEXQZCNMPI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 332485   
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)
BDBM332485
PNG
(4-(1-(2-chloro-6-trifluoromethylbenzoyl)-6-(thiazo...)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)-c1nccs1
Show InChI InChI=1S/C25H13ClF3N3O3S/c26-18-3-1-2-17(25(27,28)29)20(18)23(33)32-19-12-15(22-30-10-11-36-22)8-9-16(19)21(31-32)13-4-6-14(7-5-13)24(34)35/h1-12H,(H,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 754n/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))
BDBM332485
PNG
(4-(1-(2-chloro-6-trifluoromethylbenzoyl)-6-(thiazo...)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)-c1nccs1
Show InChI InChI=1S/C25H13ClF3N3O3S/c26-18-3-1-2-17(25(27,28)29)20(18)23(33)32-19-12-15(22-30-10-11-36-22)8-9-16(19)21(31-32)13-4-6-14(7-5-13)24(34)35/h1-12H,(H,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 754n/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