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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '15-hydroxyprostaglandin dehydrogenase [NAD(+)]' and Ligand = 'BDBM50266260'   
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))
BDBM50266260
PNG
(CHEMBL4091753)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3cccc(c3)C(=O)OC)c2c1N)-c1nccs1
Show InChI InChI=1S/C22H21N3O3S3/c1-3-4-10-31(27)22-18(23)17-15(13-6-5-7-14(11-13)21(26)28-2)12-16(25-20(17)30-22)19-24-8-9-29-19/h5-9,11-12H,3-4,10,23H2,1-2H3
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MMDB

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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair