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BDBM118029 US8637558, 51

SMILES: Cc1cc(C=C2SC(O)=NC2=O)ccc1OCC1CCCCC1

InChI Key: InChIKey=SPCGWSLJNUVKFH-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 118029   
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))
BDBM118029
PNG
(US8637558, 51)
Show SMILES Cc1cc(C=C2SC(O)=NC2=O)ccc1OCC1CCCCC1 |w:4.3,c:8|
Show InChI InChI=1S/C18H21NO3S/c1-12-9-14(10-16-17(20)19-18(21)23-16)7-8-15(12)22-11-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,20,21)
PDB
MMDB

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Similars

US Patent
n/an/a 49.8n/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