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SMILES: CC(CC1CCC(C)=CC1)Oc1ccc(C=C2SC(O)=NC2=O)cc1

InChI Key: InChIKey=KCXMCDKKIBWBCH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 118057   
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))
BDBM118057
PNG
(US8637558, 89)
Show SMILES CC(CC1CCC(C)=CC1)Oc1ccc(C=C2SC(O)=NC2=O)cc1 |w:15.15,c:7,20|
Show InChI InChI=1S/C20H23NO3S/c1-13-3-5-15(6-4-13)11-14(2)24-17-9-7-16(8-10-17)12-18-19(22)21-20(23)25-18/h3,7-10,12,14-15H,4-6,11H2,1-2H3,(H,21,22,23)
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MMDB

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Similars

US Patent
n/an/a 28.4n/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