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BDBM50142265 CHEMBL3759119

SMILES: CC(C)C(=O)NCc1cc(C(=O)Nc2ncc[nH]2)c(Cl)cc1C

InChI Key: InChIKey=LYZRMWQGYUWBNV-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50142265   
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))
BDBM50142265
PNG
(CHEMBL3759119)
Show SMILES CC(C)C(=O)NCc1cc(C(=O)Nc2ncc[nH]2)c(Cl)cc1C
Show InChI InChI=1S/C16H19ClN4O2/c1-9(2)14(22)20-8-11-7-12(13(17)6-10(11)3)15(23)21-16-18-4-5-19-16/h4-7,9H,8H2,1-3H3,(H,20,22)(H2,18,19,21,23)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in rhIL-1beta-stimulated human A549 cells assessed as PGE2 level treated for 18 hrs after 30 mins pre-incubation with rhIL-1beta...


J Med Chem 59: 194-205 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01249
BindingDB Entry DOI: 10.7270/Q2474CQR
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50142265
PNG
(CHEMBL3759119)
Show SMILES CC(C)C(=O)NCc1cc(C(=O)Nc2ncc[nH]2)c(Cl)cc1C
Show InChI InChI=1S/C16H19ClN4O2/c1-9(2)14(22)20-8-11-7-12(13(17)6-10(11)3)15(23)21-16-18-4-5-19-16/h4-7,9H,8H2,1-3H3,(H,20,22)(H2,18,19,21,23)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human microsomal PGES1 expressed in 293E cells by LC/MS/MS analysis


J Med Chem 59: 194-205 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01249
BindingDB Entry DOI: 10.7270/Q2474CQR
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50142265
PNG
(CHEMBL3759119)
Show SMILES CC(C)C(=O)NCc1cc(C(=O)Nc2ncc[nH]2)c(Cl)cc1C
Show InChI InChI=1S/C16H19ClN4O2/c1-9(2)14(22)20-8-11-7-12(13(17)6-10(11)3)15(23)21-16-18-4-5-19-16/h4-7,9H,8H2,1-3H3,(H,20,22)(H2,18,19,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in LPS-induced human whole blood assessed as suppression of PGE2 response after 20 to 24 hrs by LC-MS/MS analysis


J Med Chem 59: 194-205 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01249
BindingDB Entry DOI: 10.7270/Q2474CQR
More data for this
Ligand-Target Pair