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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM236643'   
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 2


(Homo sapiens (Human))
BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...


US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair