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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chitin synthase 3' and Ligand = 'BDBM50089538'   
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
Chitin synthase 3


(Candida albicans)		BDBM50089538
PNG
(5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-pentyl-amin...)
Show SMILES CCCCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C23H32N2O/c1-5-6-9-17-25(18-10-7-8-16-23(2,3)4)21-13-11-12-20-19(21)14-15-22(26)24-20/h7,10-13H,5-6,9,14-15,17-18H2,1-4H3,(H,24,26)/b10-7+
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Similars
Article
n/an/a 3.12E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Candida albicans chitin synthase

Citation and Details

Article DOI: 10.1007/s00044-012-0177-9
BindingDB Entry DOI: 10.7270/Q21N8422
More data for this
Ligand-Target Pair