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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 = 'BDBM50266258'   
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))		BDBM50266258
PNG
(CHEMBL4067423)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(COC(=O)NCC)cc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C24H26N4O3S3/c1-3-5-12-34(30)23-20(25)19-17(13-18(28-22(19)33-23)21-27-10-11-32-21)16-8-6-15(7-9-16)14-31-24(29)26-4-2/h6-11,13H,3-5,12,14,25H2,1-2H3,(H,26,29)
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n/an/a 3.40n/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