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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 = 'BDBM118075'   
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))
BDBM118075
PNG
(US8637558, 110)
Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(OCCOC2CCCCC2)c1Cl |w:7.8,t:1|
Show InChI InChI=1S/C18H20ClNO4S/c19-16-12(11-15-17(21)20-18(22)25-15)5-4-8-14(16)24-10-9-23-13-6-2-1-3-7-13/h4-5,8,11,13H,1-3,6-7,9-10H2,(H,20,21,22)
PDB
MMDB

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Similars

US Patent
n/an/a 233n/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