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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proprotein convertase subtilisin/kexin type 6' and Ligand = 'BDBM50399747'   
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
Proprotein convertase subtilisin/kexin type 6


(Homo sapiens (Human))		BDBM50399747
PNG
(CHEMBL2179832)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#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]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C65H126N16O17/c1-42(2)38-51(72-22-23-91-24-25-92-26-27-93-28-29-94-30-31-95-32-33-96-34-35-97-36-37-98-47(11)82)59(86)78-53(40-44(5)6)61(88)80-54(41-45(7)8)62(89)79-52(39-43(3)4)60(87)76-50(18-15-21-74-65(70)71)58(85)81-55(46(9)10)63(90)77-49(16-12-13-19-66)57(84)75-48(56(67)83)17-14-20-73-64(68)69/h42-46,48-55,72H,12-41,66H2,1-11H3,(H2,67,83)(H,75,84)(H,76,87)(H,77,90)(H,78,86)(H,79,89)(H,80,88)(H,81,85)(H4,68,69,73)(H4,70,71,74)/t48-,49-,50-,51-,52-,53-,54-,55-/m0/s1
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Article
PubMed
 19n/an/an/an/an/an/a6.5n/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PACE4 expressed in Drosophila S2 cells using pyroGlu-Arg-Val-Lys-Arg-methyl-coumaryl-7-amide as substrate...

J Med Chem 55: 10501-11 (2012)


Article DOI: 10.1021/jm3011178
BindingDB Entry DOI: 10.7270/Q2NV9KDZ
More data for this
Ligand-Target Pair