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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 = 'BDBM50399756'   
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))
BDBM50399756
PNG
(CHEMBL2179437)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#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])-[#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/C61H116N18O11/c1-32(2)26-43(70-39(15)80)53(84)74-45(28-34(5)6)55(86)76-47(30-36(9)10)57(88)78-48(31-37(11)12)58(89)77-46(29-35(7)8)56(87)75-44(27-33(3)4)54(85)72-42(22-19-25-69-61(66)67)52(83)79-49(38(13)14)59(90)73-41(20-16-17-23-62)51(82)71-40(50(63)81)21-18-24-68-60(64)65/h32-38,40-49H,16-31,62H2,1-15H3,(H2,63,81)(H,70,80)(H,71,82)(H,72,85)(H,73,90)(H,74,84)(H,75,87)(H,76,86)(H,77,89)(H,78,88)(H,79,83)(H4,64,65,68)(H4,66,67,69)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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Similars

Article
PubMed
300n/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