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BDBM118049 US8637558, 77

SMILES: OC1=NC(=O)C(S1)=Cc1cc(F)c(OCCC2CCCCC2)c(Cl)c1

InChI Key: InChIKey=MZCUUFQUSDMWRT-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 = 118049   
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))
BDBM118049
PNG
(US8637558, 77)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(F)c(OCCC2CCCCC2)c(Cl)c1 |w:7.8,t:1|
Show InChI InChI=1S/C18H19ClFNO3S/c19-13-8-12(10-15-17(22)21-18(23)25-15)9-14(20)16(13)24-7-6-11-4-2-1-3-5-11/h8-11H,1-7H2,(H,21,22,23)
PDB
MMDB

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Similars

US Patent
n/an/a 177n/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