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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sorbitol dehydrogenase' and Ligand = 'BDBM50108715'   
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))
BDBM50108715
PNG
(CHEMBL348663 | {4-[4-(2-Hydroxymethyl-pyrimidin-4-...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1ccnc(CO)n1
Show InChI InChI=1S/C14H18N6O2/c21-9-11-15-3-1-13(17-11)19-5-7-20(8-6-19)14-2-4-16-12(10-22)18-14/h1-4,21-22H,5-10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 260n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)


J Med Chem 45: 511-28 (2002)


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


(Homo sapiens (Human))
BDBM50108715
PNG
(CHEMBL348663 | {4-[4-(2-Hydroxymethyl-pyrimidin-4-...)
Show SMILES OCc1nccc(n1)N1CCN(CC1)c1ccnc(CO)n1
Show InChI InChI=1S/C14H18N6O2/c21-9-11-15-3-1-13(17-11)19-5-7-20(8-6-19)14-2-4-16-12(10-22)18-14/h1-4,21-22H,5-10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.10E+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