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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sorbitol dehydrogenase' and Ligand = 'BDBM50108732'   
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))		BDBM50108732
PNG
(1-{4-[4-(3-Methyl-quinoxalin-2-yl)-piperazin-1-yl]...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nc2ccccc2nc1C
Show InChI InChI=1S/C19H22N6O/c1-13-19(22-16-6-4-3-5-15(16)21-13)25-11-9-24(10-12-25)17-7-8-20-18(23-17)14(2)26/h3-8,14,26H,9-12H2,1-2H3/t14-/m1/s1
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MMDB

KEGG

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PC cid
PC sid
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Similars
PubMed
n/an/a 8n/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