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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Furin' and Ligand = 'BDBM50265185'   
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))
BDBM50265185
PNG
(CHEMBL4092088)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C50H86N14O8/c1-28(2)24-37(58-32(9)65)45(68)62-39(26-30(5)6)49(72)64-23-13-16-40(64)47(70)61-38(25-29(3)4)46(69)59-36(15-12-22-56-50(54)55)44(67)63-41(31(7)8)48(71)60-35(14-10-11-21-51)43(66)57-27-33-17-19-34(20-18-33)42(52)53/h17-20,28-31,35-41H,10-16,21-27,51H2,1-9H3,(H3,52,53)(H,57,66)(H,58,65)(H,59,69)(H,60,71)(H,61,70)(H,62,68)(H,63,67)(H4,54,55,56)/t35-,36-,37-,38-,39-,40-,41-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/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