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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sorbitol dehydrogenase' and Ligand = 'BDBM50108731'   
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))		BDBM50108731
PNG
(1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-...)
Show SMILES C[C@@H](O)c1nccc(n1)N1C[C@H](C)N([C@H](C)C1)c1nc(C)cc(CO)n1
Show InChI InChI=1S/C18H26N6O2/c1-11-7-15(10-25)21-18(20-11)24-12(2)8-23(9-13(24)3)16-5-6-19-17(22-16)14(4)26/h5-7,12-14,25-26H,8-10H2,1-4H3/t12-,13+,14-/m1/s1
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PC cid
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Similars
PubMed
n/an/a 130n/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