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BDBM332445 4-(1-(2-chloro-6- (trifluoromethyl) benzoyl)-6- morpholino-1H- indazol-3-yl) benzoic acid::US10196354, Example 4H::US9745265, 4H

SMILES: OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=PAOBWZISCVUZCX-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 = 332445   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM332445
PNG
(4-(1-(2-chloro-6- (trifluoromethyl) benzoyl)-6- mo...)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C26H19ClF3N3O4/c27-20-3-1-2-19(26(28,29)30)22(20)24(34)33-21-14-17(32-10-12-37-13-11-32)8-9-18(21)23(31-33)15-4-6-16(7-5-15)25(35)36/h1-9,14H,10-13H2,(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 4.32E+3n/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))
BDBM332445
PNG
(4-(1-(2-chloro-6- (trifluoromethyl) benzoyl)-6- mo...)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C26H19ClF3N3O4/c27-20-3-1-2-19(26(28,29)30)22(20)24(34)33-21-14-17(32-10-12-37-13-11-32)8-9-18(21)23(31-33)15-4-6-16(7-5-15)25(35)36/h1-9,14H,10-13H2,(H,35,36)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.32E+3n/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