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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 = 'BDBM50438400'   
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))
BDBM50438400
PNG
(CHEMBL2414163 | US8637558, 85)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccccc2)cc1Cl |w:7.8,t:1|
Show InChI InChI=1S/C17H12ClNO3S/c18-14-9-13(22-10-11-4-2-1-3-5-11)7-6-12(14)8-15-16(20)19-17(21)23-15/h1-9H,10H2,(H,19,20,21)
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 487n/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))
BDBM50438400
PNG
(CHEMBL2414163 | US8637558, 85)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccccc2)cc1Cl |w:7.8,t:1|
Show InChI InChI=1S/C17H12ClNO3S/c18-14-9-13(22-10-11-4-2-1-3-5-11)7-6-12(14)8-15-16(20)19-17(21)23-15/h1-9H,10H2,(H,19,20,21)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 487n/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