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BDBM50266194 CHEMBL4071206

SMILES: CCCC[S+]([O-])c1sc2nc(cc(-c3nccs3)c2c1N)-c1nccs1

InChI Key: InChIKey=TYJBYGMGVSFXRL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50266194   
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))		BDBM50266194
PNG
(CHEMBL4071206)
Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3nccs3)c2c1N)-c1nccs1
Show InChI InChI=1S/C17H16N4OS4/c1-2-3-8-26(22)17-13(18)12-10(14-19-4-6-23-14)9-11(21-16(12)25-17)15-20-5-7-24-15/h4-7,9H,2-3,8,18H2,1H3
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Similars
Article
PubMed
n/an/a 1.80n/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