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BDBM118066 US8637558, 99

SMILES: OC1=NC(=O)C(S1)=Cc1cccc(OC2CCCCC2)c1Cl

InChI Key: InChIKey=NEBNCADCRHAFSD-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 = 118066   
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))
BDBM118066
PNG
(US8637558, 99)
Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(OC2CCCCC2)c1Cl |w:7.8,t:1|
Show InChI InChI=1S/C16H16ClNO3S/c17-14-10(9-13-15(19)18-16(20)22-13)5-4-8-12(14)21-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H,18,19,20)
PDB
MMDB

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Similars

US Patent
n/an/a 212n/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