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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Furin' and Ligand = 'BDBM50399759'   
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))
BDBM50399759
PNG
(CHEMBL2179436)
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]\[#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/C55H105N17O10/c1-29(2)24-39(64-35(13)73)48(77)68-41(26-31(5)6)50(79)70-43(28-33(9)10)52(81)71-42(27-32(7)8)51(80)69-40(25-30(3)4)49(78)66-38(20-17-23-63-55(60)61)47(76)72-44(34(11)12)53(82)67-37(18-14-15-21-56)46(75)65-36(45(57)74)19-16-22-62-54(58)59/h29-34,36-44H,14-28,56H2,1-13H3,(H2,57,74)(H,64,73)(H,65,75)(H,66,78)(H,67,82)(H,68,77)(H,69,80)(H,70,79)(H,71,81)(H,72,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3n/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