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SMILES: Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1

InChI Key: InChIKey=LYFSLYNHHQEWDQ-UHFFFAOYSA-N

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 3 hits for monomerid = 286048   
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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286048
PNG
(N-(2-(3-Chlorophenyl)-1-methyl-1H-indol-5-yl)-2-(d...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H24ClF3N4O2/c1-27(2,31)26(37)33-14-15-9-20(23(24(29)30)32-13-15)25(36)34-19-7-8-21-17(11-19)12-22(35(21)3)16-5-4-6-18(28)10-16/h4-13,24H,14H2,1-3H3,(H,33,37)(H,34,36)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.33n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical 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))
BDBM286048
PNG
(N-(2-(3-Chlorophenyl)-1-methyl-1H-indol-5-yl)-2-(d...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H24ClF3N4O2/c1-27(2,31)26(37)33-14-15-9-20(23(24(29)30)32-13-15)25(36)34-19-7-8-21-17(11-19)12-22(35(21)3)16-5-4-6-18(28)10-16/h4-13,24H,14H2,1-3H3,(H,33,37)(H,34,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.8n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical 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))
BDBM286048
PNG
(N-(2-(3-Chlorophenyl)-1-methyl-1H-indol-5-yl)-2-(d...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H24ClF3N4O2/c1-27(2,31)26(37)33-14-15-9-20(23(24(29)30)32-13-15)25(36)34-19-7-8-21-17(11-19)12-22(35(21)3)16-5-4-6-18(28)10-16/h4-13,24H,14H2,1-3H3,(H,33,37)(H,34,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.8n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical 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