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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Furin' and Ligand = 'BDBM50399749'   
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))
BDBM50399749
PNG
(CHEMBL2179430)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7])-[#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]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C39H77N17O8/c1-21(2)19-24(41)31(58)56-29(20-22(3)4)35(62)54-27(13-9-17-49-38(44)45)33(60)53-26(12-8-16-48-37(42)43)32(59)51-23(5)30(57)52-25(11-6-7-15-40)34(61)55-28(36(63)64)14-10-18-50-39(46)47/h21-29H,6-20,40-41H2,1-5H3,(H,51,59)(H,52,57)(H,53,60)(H,54,62)(H,55,61)(H,56,58)(H,63,64)(H4,42,43,48)(H4,44,45,49)(H4,46,47,50)/t23-,24-,25-,26-,27-,28-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.4n/an/an/an/an/an/a7.5n/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant furin 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