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BDBM50266154 CHEMBL4093974

SMILES: CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(COC(=O)CN(C)C)cc3)c2c1N)-c1nccs1

InChI Key: InChIKey=ILJZLKLCIPROFV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50266154   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))		BDBM50266154
PNG
(CHEMBL4093974)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(COC(=O)CN(C)C)cc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C25H28N4O3S3/c1-4-5-12-35(31)25-22(26)21-18(13-19(28-24(21)34-25)23-27-10-11-33-23)17-8-6-16(7-9-17)15-32-20(30)14-29(2)3/h6-11,13H,4-5,12,14-15,26H2,1-3H3
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Similars
Article
PubMed
n/an/a 3.5n/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