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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sorbitol dehydrogenase' and Ligand = 'BDBM50108725'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sorbitol dehydrogenase


(Homo sapiens (Human))
BDBM50108725
PNG
(CHEMBL148835 | [4-(2,3,5,6-Tetrahydro-[1,2']bipyra...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C13H16N6O/c20-10-11-15-2-1-12(17-11)18-5-7-19(8-6-18)13-9-14-3-4-16-13/h1-4,9,20H,5-8,10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)


J Med Chem 45: 511-28 (2002)


BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair