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BDBM50347956 CHEMBL1800143::US8637558, 32

SMILES: OC1=NC(=O)C(S1)=Cc1ccc(OCCCC2CCCCC2)c(Cl)c1

InChI Key: InChIKey=PWMWQEDMHMQOSU-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50347956   
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))
BDBM50347956
PNG
(CHEMBL1800143 | US8637558, 32)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCCC2CCCCC2)c(Cl)c1 |w:7.8,t:1|
Show InChI InChI=1S/C19H22ClNO3S/c20-15-11-14(12-17-18(22)21-19(23)25-17)8-9-16(15)24-10-4-7-13-5-2-1-3-6-13/h8-9,11-13H,1-7,10H2,(H,21,22,23)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human 15-PGDH expressed in Escherichia coli using PGE2 as substrate and NAD+ as coenzyme assessed as formation of NADH by spectrophotom...


J Med Chem 54: 5260-4 (2011)


Article DOI: 10.1021/jm200390u
BindingDB Entry DOI: 10.7270/Q2B56K33
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50347956
PNG
(CHEMBL1800143 | US8637558, 32)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCCC2CCCCC2)c(Cl)c1 |w:7.8,t:1|
Show InChI InChI=1S/C19H22ClNO3S/c20-15-11-14(12-17-18(22)21-19(23)25-17)8-9-16(15)24-10-4-7-13-5-2-1-3-6-13/h8-9,11-13H,1-7,10H2,(H,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 10.3n/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