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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 = 'BDBM118048'   
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))
BDBM118048
PNG
(CHEMBL599395 | US8637558, 76)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |w:7.8,t:1|
Show InChI InChI=1S/C23H17NO3S/c25-22-21(28-23(26)24-22)14-16-8-12-20(13-9-16)27-15-17-6-10-19(11-7-17)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,25,26)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 814n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human 15PGDH expressed in Escherichia coli BL-21 by fluorescence spectrophotometry


Bioorg Med Chem 18: 1428-33 (2010)


Article DOI: 10.1016/j.bmc.2010.01.016
BindingDB Entry DOI: 10.7270/Q2Z0393H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM118048
PNG
(CHEMBL599395 | US8637558, 76)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |w:7.8,t:1|
Show InChI InChI=1S/C23H17NO3S/c25-22-21(28-23(26)24-22)14-16-8-12-20(13-9-16)27-15-17-6-10-19(11-7-17)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,25,26)
PDB
MMDB

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 814n/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