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Compile Data Set for Download or QSAR

Found 747 hits of ki for UniProtKB: P09958   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Furin


(Homo sapiens (Human))
BDBM50552678
PNG
(CHEMBL4759036)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
0.00500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant soluble human furin using Phac-Arg-Val-Arg-Arg-AMC fluorogenic substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00651
BindingDB Entry DOI: 10.7270/Q2JD51DD
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50552678
PNG
(CHEMBL4759036)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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UniProtKB/SwissProt

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UniChem
Article
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0.00500n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601724
PNG
(CHEMBL5190391)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
Article
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0.00600n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601696
PNG
(CHEMBL5189844)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
Article
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0.00800n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601705
PNG
(CHEMBL5203612)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
Article
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0.00900n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50552679
PNG
(CHEMBL4762678)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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UniChem
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0.00900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant soluble human furin using Phac-Arg-Val-Arg-Arg-AMC fluorogenic substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00651
BindingDB Entry DOI: 10.7270/Q2JD51DD
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50552672
PNG
(CHEMBL4790628)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCONC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCONC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
0.0100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant soluble human furin using Phac-Arg-Val-Arg-Arg-AMC fluorogenic substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00651
BindingDB Entry DOI: 10.7270/Q2JD51DD
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601720
PNG
(CHEMBL5188244)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCONC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCONC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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PC sid
UniChem
Article
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0.0100n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50552676
PNG
(CHEMBL4794635)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCONC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
0.0130n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant soluble human furin using Phac-Arg-Val-Arg-Arg-AMC fluorogenic substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00651
BindingDB Entry DOI: 10.7270/Q2JD51DD
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601719
PNG
(CHEMBL5193701)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCONC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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UniProtKB/SwissProt

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UniChem
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0.0130n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601721
PNG
(CHEMBL5205365)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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UniProtKB/SwissProt

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UniChem
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0.0140n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601698
PNG
(CHEMBL5175269)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1cccc(CNC(N)=N)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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UniChem
Article
PubMed
0.0160n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601700
PNG
(CHEMBL5207872)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CN)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
PubMed
0.0220n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601703
PNG
(CHEMBL5202322)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(C(N)=N)c(F)c1 |r|
PDB

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UniProtKB/SwissProt

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UniChem
Article
PubMed
0.0223n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601723
PNG
(CHEMBL5203853)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
0.0280n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601722
PNG
(CHEMBL5176040)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

KEGG

UniProtKB/SwissProt

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UniChem
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0.0340n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50552673
PNG
(CHEMBL4750900)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCONC(N)=N)NC(=O)Cc1ccc(CN)cc1)C(=O)N[C@@H](CCONC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
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0.0340n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant soluble human furin using Phac-Arg-Val-Arg-Arg-AMC fluorogenic substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00651
BindingDB Entry DOI: 10.7270/Q2JD51DD
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50552674
PNG
(CHEMBL4742184)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCONC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
0.0360n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant soluble human furin using Phac-Arg-Val-Arg-Arg-AMC fluorogenic substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00651
BindingDB Entry DOI: 10.7270/Q2JD51DD
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601716
PNG
(CHEMBL5207759)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
0.0538n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50552677
PNG
(CHEMBL4779067)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CN)cc1)C(=O)N[C@@H](CCONC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
0.0770n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant soluble human furin using Phac-Arg-Val-Arg-Arg-AMC fluorogenic substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00651
BindingDB Entry DOI: 10.7270/Q2JD51DD
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601712
PNG
(CHEMBL5207183)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
Article
PubMed
0.110n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50552675
PNG
(CHEMBL4747919)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCONC(N)=N)NC(=O)Cc1ccc(CN)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
0.114n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant soluble human furin using Phac-Arg-Val-Arg-Arg-AMC fluorogenic substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00651
BindingDB Entry DOI: 10.7270/Q2JD51DD
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601697
PNG
(CHEMBL5179893)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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UniProtKB/SwissProt

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UniChem
Article
PubMed
0.170n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601699
PNG
(CHEMBL5191544)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccccc1CNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
0.196n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
CHEMBL5271690
PNG
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
UniChem
0.210n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
CHEMBL5275267
PNG
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
UniChem
0.25n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
CHEMBL5276332
PNG
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
UniChem
0.270n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
CHEMBL5285236
PNG
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
UniChem
0.380n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50264892
PNG
(CHEMBL4065072)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(C)=O)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/C51H91N15O8/c1-29(2)25-39(64-49(73)41(27-31(5)6)65-48(72)40(26-30(3)4)63-45(69)37(60-33(9)67)16-11-13-23-53)47(71)61-38(17-14-24-58-51(56)57)46(70)66-42(32(7)8)50(74)62-36(15-10-12-22-52)44(68)59-28-34-18-20-35(21-19-34)43(54)55/h18-21,29-32,36-42H,10-17,22-28,52-53H2,1-9H3,(H3,54,55)(H,59,68)(H,60,67)(H,61,71)(H,62,74)(H,63,69)(H,64,73)(H,65,72)(H,66,70)(H4,56,57,58)/t36-,37-,38-,39-,40-,41-,42-/m0/s1
PDB

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UniChem

Similars

Article
PubMed
0.400n/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
Furin


(Homo sapiens (Human))
CHEMBL5277422
PNG
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0.490n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601714
PNG
(CHEMBL5202985)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@H](CCCNC(N)N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCCNC(=O)CCN2CCN(CC2)CCC(=O)NCCCC[C@H](NC1=O)C(=O)NCc1ccc(cc1)C(N)=N |r,wU:56.56,30.31,wD:19.19,8.8,4.3,(.59,-.95,;-.9,-.55,;-1.74,-2.02,;-.5,-2.04,;-1.3,.94,;-2.63,1.72,;-3.95,.94,;-5.28,1.64,;-3.95,-.62,;-2.62,-1.39,;-2.62,-2.93,;-1.29,-3.7,;-1.29,-5.24,;.05,-6.01,;.05,-7.55,;1.38,-5.24,;-5.28,-1.4,;-5.83,-2.89,;-4.97,-4.14,;-7.39,-2.89,;-8.17,-4.22,;-7.39,-5.54,;-8.17,-6.87,;-7.39,-8.27,;-8.17,-9.6,;-9.73,-9.6,;-7.39,-10.93,;-7.94,-1.48,;-9.34,-.7,;-9.34,.86,;-10.59,-1.48,;-10.59,-3.04,;-11.99,-.78,;-11.99,.78,;-10.67,1.56,;-10.67,3.12,;-9.34,3.9,;-9.42,5.46,;-10.75,6.24,;-8.09,6.24,;-8.09,7.81,;-6.76,8.59,;-6.76,10.15,;-5.44,10.93,;-4.11,10.15,;-4.11,8.59,;-5.44,7.81,;-2.78,10.93,;-1.46,10.23,;-1.46,8.66,;-2.78,7.88,;-.05,7.88,;1.2,8.66,;2.6,7.96,;2.6,6.4,;1.28,5.62,;1.28,4.06,;-.05,3.28,;.03,1.72,;1.35,.94,;2.68,3.28,;2.68,1.72,;4.01,4.06,;5.35,3.3,;6.67,4.08,;6.66,5.62,;7.99,6.4,;9.33,5.64,;9.34,4.11,;8.02,3.32,;10.66,6.41,;11.99,5.64,;10.66,7.95,)|
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0.491n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50265119
PNG
(CHEMBL4091099)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=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/C51H91N17O8/c1-28(2)24-38(62-32(9)69)46(73)63-36(15-12-22-59-50(55)56)44(71)66-40(26-30(5)6)48(75)67-39(25-29(3)4)47(74)64-37(16-13-23-60-51(57)58)45(72)68-41(31(7)8)49(76)65-35(14-10-11-21-52)43(70)61-27-33-17-19-34(20-18-33)42(53)54/h17-20,28-31,35-41H,10-16,21-27,52H2,1-9H3,(H3,53,54)(H,61,70)(H,62,69)(H,63,73)(H,64,74)(H,65,76)(H,66,71)(H,67,75)(H,68,72)(H4,55,56,59)(H4,57,58,60)/t35-,36-,37-,38-,39-,40-,41-/m0/s1
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0.5n/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
Furin


(Homo sapiens (Human))
BDBM50265344
PNG
(CHEMBL4070237)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=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/C51H91N17O8/c1-28(2)24-38(62-32(9)69)46(73)67-40(26-30(5)6)48(75)63-36(15-12-22-59-50(55)56)44(71)66-39(25-29(3)4)47(74)64-37(16-13-23-60-51(57)58)45(72)68-41(31(7)8)49(76)65-35(14-10-11-21-52)43(70)61-27-33-17-19-34(20-18-33)42(53)54/h17-20,28-31,35-41H,10-16,21-27,52H2,1-9H3,(H3,53,54)(H,61,70)(H,62,69)(H,63,75)(H,64,74)(H,65,76)(H,66,71)(H,67,73)(H,68,72)(H4,55,56,59)(H4,57,58,60)/t35-,36-,37-,38-,39-,40-,41-/m0/s1
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0.5n/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
Furin


(Homo sapiens (Human))
BDBM50601710
PNG
(CHEMBL5175238)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.504n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50265083
PNG
(CHEMBL4100996)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=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/C51H91N15O8/c1-29(2)25-39(60-33(9)67)47(71)61-37(16-11-13-23-53)45(69)64-41(27-31(5)6)49(73)65-40(26-30(3)4)48(72)62-38(17-14-24-58-51(56)57)46(70)66-42(32(7)8)50(74)63-36(15-10-12-22-52)44(68)59-28-34-18-20-35(21-19-34)43(54)55/h18-21,29-32,36-42H,10-17,22-28,52-53H2,1-9H3,(H3,54,55)(H,59,68)(H,60,67)(H,61,71)(H,62,72)(H,63,74)(H,64,69)(H,65,73)(H,66,70)(H4,56,57,58)/t36-,37-,38-,39-,40-,41-,42-/m0/s1
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0.600n/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
Furin


(Homo sapiens (Human))
BDBM50601717
PNG
(CHEMBL5174341)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.618n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50303774
PNG
(CHEMBL566340 | phenylacetyl-Arg-Val-Arg-4-amidinob...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C33H50N12O4/c1-20(2)27(45-30(48)25(11-7-17-41-33(38)39)43-26(46)18-21-8-4-3-5-9-21)31(49)44-24(10-6-16-40-32(36)37)29(47)42-19-22-12-14-23(15-13-22)28(34)35/h3-5,8-9,12-15,20,24-25,27H,6-7,10-11,16-19H2,1-2H3,(H3,34,35)(H,42,47)(H,43,46)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t24-,25-,27-/m0/s1
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0.660n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601713
PNG
(CHEMBL5179100)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.680n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50264960
PNG
(CHEMBL4089819)
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](CCCNC(N)=N)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/C51H91N17O8/c1-28(2)24-38(62-32(9)69)46(73)66-40(26-30(5)6)48(75)67-39(25-29(3)4)47(74)64-36(15-12-22-59-50(55)56)44(71)63-37(16-13-23-60-51(57)58)45(72)68-41(31(7)8)49(76)65-35(14-10-11-21-52)43(70)61-27-33-17-19-34(20-18-33)42(53)54/h17-20,28-31,35-41H,10-16,21-27,52H2,1-9H3,(H3,53,54)(H,61,70)(H,62,69)(H,63,71)(H,64,74)(H,65,76)(H,66,73)(H,67,75)(H,68,72)(H4,55,56,59)(H4,57,58,60)/t35-,36-,37-,38-,39-,40-,41-/m0/s1
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0.700n/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
Furin


(Homo sapiens (Human))
BDBM50601702
PNG
(CHEMBL5199257)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(N)nc1 |r|
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0.800n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50386999
PNG
(CHEMBL2049152)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-[#6](=O)-[#8]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C32H48N12O5/c1-19(2)26(44-28(46)23(10-6-16-39-31(35)36)41-18-25(45)49-22-8-4-3-5-9-22)30(48)43-24(11-7-17-40-32(37)38)29(47)42-21-14-12-20(13-15-21)27(33)34/h3-5,8-9,12-15,19,23-24,26,41H,6-7,10-11,16-18H2,1-2H3,(H3,33,34)(H,42,47)(H,43,48)(H,44,46)(H4,35,36,39)(H4,37,38,40)/t23-,24-,26-/m0/s1
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0.810n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of furin


Bioorg Med Chem 20: 4462-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.029
BindingDB Entry DOI: 10.7270/Q2514075
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50303774
PNG
(CHEMBL566340 | phenylacetyl-Arg-Val-Arg-4-amidinob...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C33H50N12O4/c1-20(2)27(45-30(48)25(11-7-17-41-33(38)39)43-26(46)18-21-8-4-3-5-9-21)31(49)44-24(10-6-16-40-32(36)37)29(47)42-19-22-12-14-23(15-13-22)28(34)35/h3-5,8-9,12-15,20,24-25,27H,6-7,10-11,16-19H2,1-2H3,(H3,34,35)(H,42,47)(H,43,46)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t24-,25-,27-/m0/s1
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0.810n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human furin expressed in CHO cells using pyroGlu- Arg-Thr-Lys-Arg-AMC as the substrate after 30 mins


Bioorg Med Chem Lett 21: 4695-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.091
BindingDB Entry DOI: 10.7270/Q27W6CJR
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50303774
PNG
(CHEMBL566340 | phenylacetyl-Arg-Val-Arg-4-amidinob...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C33H50N12O4/c1-20(2)27(45-30(48)25(11-7-17-41-33(38)39)43-26(46)18-21-8-4-3-5-9-21)31(49)44-24(10-6-16-40-32(36)37)29(47)42-19-22-12-14-23(15-13-22)28(34)35/h3-5,8-9,12-15,20,24-25,27H,6-7,10-11,16-19H2,1-2H3,(H3,34,35)(H,42,47)(H,43,46)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t24-,25-,27-/m0/s1
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0.810n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human furin by fluorescence assay


J Med Chem 53: 1067-75 (2010)


Article DOI: 10.1021/jm9012455
BindingDB Entry DOI: 10.7270/Q2DN455Q
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50349574
PNG
(CHEMBL1808902)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C32H49N15O4/c33-26(34)21-12-10-20(11-13-21)17-43-27(49)22(8-4-14-41-30(35)36)46-29(51)24(18-44-32(39)40)47-28(50)23(9-5-15-42-31(37)38)45-25(48)16-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-24H,4-5,8-9,14-18H2,(H3,33,34)(H,43,49)(H,45,48)(H,46,51)(H,47,50)(H4,35,36,41)(H4,37,38,42)(H4,39,40,44)/t22-,23-,24-/m0/s1
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0.830n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human furin expressed in CHO cells using pyroGlu- Arg-Thr-Lys-Arg-AMC as the substrate after 30 mins


Bioorg Med Chem Lett 21: 4695-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.091
BindingDB Entry DOI: 10.7270/Q27W6CJR
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50349575
PNG
(CHEMBL1808903)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
Show InChI InChI=1S/C34H52N12O4/c1-3-21(2)28(46-31(49)26(12-8-18-42-34(39)40)44-27(47)19-22-9-5-4-6-10-22)32(50)45-25(11-7-17-41-33(37)38)30(48)43-20-23-13-15-24(16-14-23)29(35)36/h4-6,9-10,13-16,21,25-26,28H,3,7-8,11-12,17-20H2,1-2H3,(H3,35,36)(H,43,48)(H,44,47)(H,45,50)(H,46,49)(H4,37,38,41)(H4,39,40,42)/t21-,25-,26-,28-/m0/s1
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0.840n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human furin expressed in CHO cells using pyroGlu- Arg-Thr-Lys-Arg-AMC as the substrate after 30 mins


Bioorg Med Chem Lett 21: 4695-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.091
BindingDB Entry DOI: 10.7270/Q27W6CJR
More data for this
Ligand-Target Pair
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
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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
Furin


(Homo sapiens (Human))
BDBM50264941
PNG
(CHEMBL4063327)
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](CCCCN)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/C51H91N15O8/c1-29(2)25-39(60-33(9)67)47(71)64-41(27-31(5)6)49(73)65-40(26-30(3)4)48(72)62-37(16-11-13-23-53)45(69)61-38(17-14-24-58-51(56)57)46(70)66-42(32(7)8)50(74)63-36(15-10-12-22-52)44(68)59-28-34-18-20-35(21-19-34)43(54)55/h18-21,29-32,36-42H,10-17,22-28,52-53H2,1-9H3,(H3,54,55)(H,59,68)(H,60,67)(H,61,69)(H,62,72)(H,63,74)(H,64,71)(H,65,73)(H,66,70)(H4,56,57,58)/t36-,37-,38-,39-,40-,41-,42-/m0/s1
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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
Furin


(Homo sapiens (Human))
BDBM50303775
PNG
((S)-2-acetamido-N-((S)-1-((S)-1-(4-carbamimidoylbe...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C27H46N12O4/c1-15(2)21(39-24(42)20(37-16(3)40)7-5-13-35-27(32)33)25(43)38-19(6-4-12-34-26(30)31)23(41)36-14-17-8-10-18(11-9-17)22(28)29/h8-11,15,19-21H,4-7,12-14H2,1-3H3,(H3,28,29)(H,36,41)(H,37,40)(H,38,43)(H,39,42)(H4,30,31,34)(H4,32,33,35)/t19-,20-,21-/m0/s1
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1n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human furin by fluorescence assay


J Med Chem 53: 1067-75 (2010)


Article DOI: 10.1021/jm9012455
BindingDB Entry DOI: 10.7270/Q2DN455Q
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50533413
PNG
(CHEMBL3126388)
Show SMILES CCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl |r|
Show InChI InChI=1S/C34H66ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-26,29H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,29-/m0/s1
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1n/an/an/an/an/an/an/an/a



Centre Hospitalier Universitaire Vaudois (CHUV)

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal truncated human SPC1 expressed in drosophila Schneider 2 cells after 1 hr by spectrofluorometry


J Med Chem 59: 7719-37 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01516
BindingDB Entry DOI: 10.7270/Q2M048X4
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50387001
PNG
(CHEMBL2049154)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C26H44N12O4/c1-14(2)20(38-23(41)18(35-15(3)39)6-4-12-33-25(29)30)24(42)37-19(7-5-13-34-26(31)32)22(40)36-17-10-8-16(9-11-17)21(27)28/h8-11,14,18-20H,4-7,12-13H2,1-3H3,(H3,27,28)(H,35,39)(H,36,40)(H,37,42)(H,38,41)(H4,29,30,33)(H4,31,32,34)/t18-,19-,20-/m0/s1
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1n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of furin


Bioorg Med Chem 20: 4462-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.029
BindingDB Entry DOI: 10.7270/Q2514075
More data for this
Ligand-Target Pair
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