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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50124788'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 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

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2QF8S8R
More data for this
Ligand-Target Pair