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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sorbitol dehydrogenase' and Ligand = 'BDBM50108729'   
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))		BDBM50108729
PNG
(1-{4-[4-(4-Methyl-pyrimidin-2-yl)-piperazin-1-yl]-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nccc(C)n1
Show InChI InChI=1S/C15H20N6O/c1-11-3-5-17-15(18-11)21-9-7-20(8-10-21)13-4-6-16-14(19-13)12(2)22/h3-6,12,22H,7-10H2,1-2H3/t12-/m1/s1
PDB
MMDB

KEGG

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PC cid
PC sid
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Similars
PubMed
n/an/a 110n/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