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BDBM50397232 CHEMBL2172770

SMILES: Cc1c(CC(O)=O)c2cc(ccc2n1Cc1ccc(Cl)cc1)C#Cc1ccccc1

InChI Key: InChIKey=ANTSTLGYCUOPSX-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 = 50397232   
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))
BDBM50397232
PNG
(CHEMBL2172770)
Show SMILES Cc1c(CC(O)=O)c2cc(ccc2n1Cc1ccc(Cl)cc1)C#Cc1ccccc1
Show InChI InChI=1S/C26H20ClNO2/c1-18-23(16-26(29)30)24-15-20(8-7-19-5-3-2-4-6-19)11-14-25(24)28(18)17-21-9-12-22(27)13-10-21/h2-6,9-15H,16-17H2,1H3,(H,29,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC a...


J Med Chem 55: 8958-62 (2012)


Article DOI: 10.1021/jm3010543
BindingDB Entry DOI: 10.7270/Q20Z74FD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50397232
PNG
(CHEMBL2172770)
Show SMILES Cc1c(CC(O)=O)c2cc(ccc2n1Cc1ccc(Cl)cc1)C#Cc1ccccc1
Show InChI InChI=1S/C26H20ClNO2/c1-18-23(16-26(29)30)24-15-20(8-7-19-5-3-2-4-6-19)11-14-25(24)28(18)17-21-9-12-22(27)13-10-21/h2-6,9-15H,16-17H2,1H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human neutrophils assessed as inhibition of enzyme product formation by RP-HPLC analysis


J Med Chem 55: 8958-62 (2012)


Article DOI: 10.1021/jm3010543
BindingDB Entry DOI: 10.7270/Q20Z74FD
More data for this
Ligand-Target Pair