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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Furin' and Ligand = 'BDBM50264931'   
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))
BDBM50264931
PNG
(CHEMBL4084457)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
Show InChI InChI=1S/C51H86N16O8/c1-28(2)21-38(61-32(9)68)46(71)64-39(22-29(3)4)47(72)65-40(23-30(5)6)48(73)66-41(24-35-26-57-27-60-35)49(74)62-37(14-12-20-58-51(55)56)45(70)67-42(31(7)8)50(75)63-36(13-10-11-19-52)44(69)59-25-33-15-17-34(18-16-33)43(53)54/h15-18,26-31,36-42H,10-14,19-25,52H2,1-9H3,(H3,53,54)(H,57,60)(H,59,69)(H,61,68)(H,62,74)(H,63,75)(H,64,71)(H,65,72)(H,66,73)(H,67,70)(H4,55,56,58)/t36-,37-,38-,39-,40-,41-,42-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of recombinant human furin expressed in drosophila S2 cells using pyrGlu-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin as substrate after 60 mi...


J Med Chem 60: 2732-2744 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01499
BindingDB Entry DOI: 10.7270/Q2HD7Z4F
More data for this
Ligand-Target Pair