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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 = 'BDBM50378627'   
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))
BDBM50378627
PNG
(CHEMBL590988 | US8637558, 19)
Show SMILES Cc1ncsc1CCOc1ccc(C=C2SC(O)=NC2=O)cc1 |w:13.13,c:18|
Show InChI InChI=1S/C16H14N2O3S2/c1-10-13(22-9-17-10)6-7-21-12-4-2-11(3-5-12)8-14-15(19)18-16(20)23-14/h2-5,8-9H,6-7H2,1H3,(H,18,19,20)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 636n/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))
BDBM50378627
PNG
(CHEMBL590988 | US8637558, 19)
Show SMILES Cc1ncsc1CCOc1ccc(C=C2SC(O)=NC2=O)cc1 |w:13.13,c:18|
Show InChI InChI=1S/C16H14N2O3S2/c1-10-13(22-9-17-10)6-7-21-12-4-2-11(3-5-12)8-14-15(19)18-16(20)23-14/h2-5,8-9H,6-7H2,1H3,(H,18,19,20)
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antibodypedia
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PC sid
UniChem

Similars

US Patent
n/an/a 1.17E+3n/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