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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '15-hydroxyprostaglandin dehydrogenase [NAD(+)]' and Ligand = 'BDBM50347953'   
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
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50347953
PNG
(CHEMBL1800140 | US8637558, 15)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)c(Br)c1 |w:7.8,t:1|
Show InChI InChI=1S/C18H20BrNO3S/c19-14-10-13(11-16-17(21)20-18(22)24-16)6-7-15(14)23-9-8-12-4-2-1-3-5-12/h6-7,10-12H,1-5,8-9H2,(H,20,21,22)
PDB
MMDB

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PC cid
PC sid
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Patents


Similars

US Patent
n/an/a 6.60n/an/an/an/a7.5n/a



Industry-Academic Cooperation Foundation, Chosun University

US Patent


Assay Description
Experimental was performed by measuring the formation of NADH at 340 nm with a fluorescence spectrophotometer. Specifically, 2 ml (in total) of the s...


US Patent US8637558 (2014)


BindingDB Entry DOI: 10.7270/Q280519F
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50347953
PNG
(CHEMBL1800140 | US8637558, 15)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)c(Br)c1 |w:7.8,t:1|
Show InChI InChI=1S/C18H20BrNO3S/c19-14-10-13(11-16-17(21)20-18(22)24-16)6-7-15(14)23-9-8-12-4-2-1-3-5-12/h6-7,10-12H,1-5,8-9H2,(H,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human 15-PGDH expressed in Escherichia coli using PGE2 as substrate and NAD+ as coenzyme assessed as formation of NADH by spectrophotom...


J Med Chem 54: 5260-4 (2011)


Article DOI: 10.1021/jm200390u
BindingDB Entry DOI: 10.7270/Q2B56K33
More data for this
Ligand-Target Pair