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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 = 'BDBM50438424'   
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))
BDBM50438424
PNG
(CHEMBL2414139 | US8637558, 17)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCN2CCS(=O)(=O)CC2)c(Cl)c1 |w:7.8,t:1|
Show InChI InChI=1S/C16H17ClN2O5S2/c17-12-9-11(10-14-15(20)18-16(21)25-14)1-2-13(12)24-6-3-19-4-7-26(22,23)8-5-19/h1-2,9-10H,3-8H2,(H,18,20,21)
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Similars

Article
PubMed
n/an/a 223n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused 15-PGDH expressed in Escherichia coli BL21 using PGE2 as substrate assessed as formation of NADH by fluorescence spectr...


Bioorg Med Chem 21: 4477-84 (2013)


Article DOI: 10.1016/j.bmc.2013.05.049
BindingDB Entry DOI: 10.7270/Q2542Q00
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50438424
PNG
(CHEMBL2414139 | US8637558, 17)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCN2CCS(=O)(=O)CC2)c(Cl)c1 |w:7.8,t:1|
Show InChI InChI=1S/C16H17ClN2O5S2/c17-12-9-11(10-14-15(20)18-16(21)25-14)1-2-13(12)24-6-3-19-4-7-26(22,23)8-5-19/h1-2,9-10H,3-8H2,(H,18,20,21)
PDB
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 308n/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