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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Furin' and Ligand = 'BDBM50387002'   
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
Furin


(Homo sapiens (Human))		BDBM50387002
PNG
(CHEMBL2049155)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C34H60N10O4/c1-4-5-6-7-8-9-10-16-28(45)42-26(15-13-22-40-34(38)39)32(47)44-29(23(2)3)33(48)43-27(14-11-12-21-35)31(46)41-25-19-17-24(18-20-25)30(36)37/h17-20,23,26-27,29H,4-16,21-22,35H2,1-3H3,(H3,36,37)(H,41,46)(H,42,45)(H,43,48)(H,44,47)(H4,38,39,40)/t26-,27-,29-/m0/s1
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Similars
Article
PubMed
 3.30n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of furin

Bioorg Med Chem 20: 4462-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.029
BindingDB Entry DOI: 10.7270/Q2514075
More data for this
Ligand-Target Pair