BindingDB logo
myBDB logout

BDBM50124788 2-(2-Methoxy-6-pentadecyl-benzylsulfanyl)-5-methyl-1H-benzoimidazole::CHEMBL161788

SMILES: CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccc(C)cc2[nH]1

InChI Key: InChIKey=QWLSQQPLRMWLMG-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 = 50124788   
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50124788
PNG
(2-(2-Methoxy-6-pentadecyl-benzylsulfanyl)-5-methyl...)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C31H46N2OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26-19-17-20-30(34-3)27(26)24-35-31-32-28-22-21-25(2)23-29(28)33-31/h17,19-23H,4-16,18,24H2,1-3H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.63E+3n/an/an/an/an/an/a



Vittal Mallya Scientific Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.


Bioorg Med Chem Lett 13: 657-60 (2003)


Article DOI: 10.1016/s0960-894x(02)01006-5
BindingDB Entry DOI: 10.7270/Q2QF8S8R
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50124788
PNG
(2-(2-Methoxy-6-pentadecyl-benzylsulfanyl)-5-methyl...)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C31H46N2OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26-19-17-20-30(34-3)27(26)24-35-31-32-28-22-21-25(2)23-29(28)33-31/h17,19-23H,4-16,18,24H2,1-3H3,(H,32,33)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Vittal Mallya Scientific Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood assay as TXB2 generation


Bioorg Med Chem Lett 13: 657-60 (2003)


Article DOI: 10.1016/s0960-894x(02)01006-5
BindingDB Entry DOI: 10.7270/Q2QF8S8R
More data for this
Ligand-Target Pair