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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sorbitol dehydrogenase' and Ligand = 'BDBM50108762'   
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))		BDBM50108762
PNG
(1-(4-{4-[2-(2-Hydroxy-ethyl)-pyrimidin-4-yl]-2,6-d...)
Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ccnc(CCO)n1
Show InChI InChI=1S/C18H26N6O2/c1-12-10-23(16-4-7-19-15(21-16)6-9-25)11-13(2)24(12)17-5-8-20-18(22-17)14(3)26/h4-5,7-8,12-14,25-26H,6,9-11H2,1-3H3/t12-,13+,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 10n/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