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BDBM286054 2-(Difluoromethyl)-5-((2-methylpropanoylamino)methyl)-N-(2-(4-(trifluoromethyl)phenyl)benzofuran-5-yl)nicotinamide::US10081629, Example 39

SMILES: CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(cc2c1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=PCSPLGNRLOAGJZ-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 = 286054   
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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286054
PNG
(2-(Difluoromethyl)-5-((2-methylpropanoylamino)meth...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H22F5N3O3/c1-14(2)25(36)34-13-15-9-20(23(24(28)29)33-12-15)26(37)35-19-7-8-21-17(10-19)11-22(38-21)16-3-5-18(6-4-16)27(30,31)32/h3-12,14,24H,13H2,1-2H3,(H,34,36)(H,35,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30.5n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)


BindingDB Entry DOI: 10.7270/Q20K2BMF
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286054
PNG
(2-(Difluoromethyl)-5-((2-methylpropanoylamino)meth...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H22F5N3O3/c1-14(2)25(36)34-13-15-9-20(23(24(28)29)33-12-15)26(37)35-19-7-8-21-17(10-19)11-22(38-21)16-3-5-18(6-4-16)27(30,31)32/h3-12,14,24H,13H2,1-2H3,(H,34,36)(H,35,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.68n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)


BindingDB Entry DOI: 10.7270/Q20K2BMF
More data for this
Ligand-Target Pair