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Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 50017414   
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))
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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UniChem
Article
PubMed
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|
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UniChem
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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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UniChem
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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

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UniChem
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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))
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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UniChem
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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))
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|
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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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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
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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

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UniChem
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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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UniChem
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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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UniChem
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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

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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))
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

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PC sid
UniChem
Article
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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))
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

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UniChem
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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))
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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PC sid
UniChem
Article
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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

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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))
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,)|
PDB

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UniChem
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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))
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|
PDB

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UniChem
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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))
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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Similars

Article
PubMed
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))
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))
BDBM50601711
PNG
(CHEMBL5207252)
Show SMILES NCCCC[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|
PDB

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1.10n/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))
BDBM50601715
PNG
(CHEMBL5189192)
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)Cc2ccc(CNC(=O)CCCC(=O)NCCCC[C@H](NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc2 |r|
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1.20n/an/an/an/an/an/an/an/a


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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))
BDBM50601726
PNG
(CHEMBL5189010)
Show SMILES CC(C)(C)[C@H](NC(=O)CCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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1.30n/an/an/an/an/an/an/an/a


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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))
BDBM50601734
PNG
(CHEMBL5177645)
Show SMILES NC(=N)N[C@@H]1C[C@H](NC(N)=N)[C@H](C[C@H]1Oc1ccc(cc1)C(N)=N)Oc1ccc(cc1)C(N)=N |r|
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2n/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))
BDBM50601725
PNG
(CHEMBL5170438)
Show SMILES CC(C)[C@H](NC(=O)CCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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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))
BDBM50601701
PNG
(CHEMBL5177253)
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(CN)cc1 |r|
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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))
BDBM207839
PNG
(US9266828, B)
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]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6](-[#7])=[#7])c(F)c1 |r|
Show InChI InChI=1S/C31H45FN12O4/c1-16(2)25(44-28(47)23(41-17(3)45)5-4-12-39-30(35)36)29(48)43-24(14-18-6-9-20(10-7-18)42-31(37)38)27(46)40-15-19-8-11-21(26(33)34)22(32)13-19/h6-11,13,16,23-25H,4-5,12,14-15H2,1-3H3,(H3,33,34)(H,40,46)(H,41,45)(H,43,48)(H,44,47)(H4,35,36,39)(H4,37,38,42)/t23-,24-,25-/m0/s1
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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))
BDBM50448473
PNG
(CHEMBL3126399)
Show SMILES [#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@@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]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C49H90N24O8/c1-28(67-41(77)33(68-29(2)74)13-7-23-62-46(54)55)39(75)69-35(14-8-24-63-47(56)57)43(79)72-37(16-10-26-65-49(60)61)45(81)73-36(15-9-25-64-48(58)59)44(80)71-34(12-4-6-22-51)42(78)70-32(11-3-5-21-50)40(76)66-27-30-17-19-31(20-18-30)38(52)53/h17-20,28,32-37H,3-16,21-27,50-51H2,1-2H3,(H3,52,53)(H,66,76)(H,67,77)(H,68,74)(H,69,75)(H,70,78)(H,71,80)(H,72,79)(H,73,81)(H4,54,55,62)(H4,56,57,63)(H4,58,59,64)(H4,60,61,65)/t28-,32-,33-,34-,35-,36-,37-/m0/s1
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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))
BDBM50601735
PNG
(CHEMBL5199986)
Show SMILES NC(=N)N[C@@H]1C[C@H](NC(N)=N)[C@H](C[C@H]1Oc1ccc(cc1Cl)C(N)=N)Oc1ccc(cc1Cl)C(N)=N |r|
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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))
BDBM50279582
PNG
(CHEMBL488769 | N-[(1S,2S,4R,5R)-5-Guanidino-4-(4-g...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6@H]-1-[#6]-[#6@@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#6]-[#6@@H]1-[#8]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#8]-c1ccc(\[#7]=[#6](\[#7])-[#7])c2ccccc12 |r|
Show InChI InChI=1S/C26H34N12O2/c27-23(28)35-13-5-7-14(8-6-13)39-21-12-22(19(38-26(33)34)11-18(21)37-25(31)32)40-20-10-9-17(36-24(29)30)15-3-1-2-4-16(15)20/h1-10,18-19,21-22H,11-12H2,(H4,27,28,35)(H4,29,30,36)(H4,31,32,37)(H4,33,34,38)/t18-,19+,21-,22+/m0/s1
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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))
BDBM207838
PNG
(US9266828, A)
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]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C31H46N12O4/c1-17(2)25(43-28(46)23(40-18(3)44)5-4-14-38-30(34)35)29(47)42-24(15-19-8-12-22(13-9-19)41-31(36)37)27(45)39-16-20-6-10-21(11-7-20)26(32)33/h6-13,17,23-25H,4-5,14-16H2,1-3H3,(H3,32,33)(H,39,45)(H,40,44)(H,42,47)(H,43,46)(H4,34,35,38)(H4,36,37,41)/t23-,24-,25-/m0/s1
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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))
BDBM50448472
PNG
(CHEMBL3126398)
Show SMILES [#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@@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]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]\[#6]=[#6]\[#6]\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C46H91N25O8/c1-27(65-37(75)30(66-28(2)72)15-9-23-61-43(51)52)35(73)67-32(16-10-24-62-44(53)54)39(77)70-34(18-12-26-64-46(57)58)41(79)71-33(17-11-25-63-45(55)56)40(78)69-31(14-4-6-20-48)38(76)68-29(13-3-5-19-47)36(74)59-21-7-8-22-60-42(49)50/h7-8,27,29-34H,3-6,9-26,47-48H2,1-2H3,(H,59,74)(H,65,75)(H,66,72)(H,67,73)(H,68,76)(H,69,78)(H,70,77)(H,71,79)(H4,49,50,60)(H4,51,52,61)(H4,53,54,62)(H4,55,56,63)(H4,57,58,64)/b8-7+/t27-,29-,30-,31-,32-,33-,34-/m0/s1
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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))
BDBM207840
PNG
(US9266828, C)
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]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1F)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C31H45FN12O4/c1-16(2)25(44-28(47)23(41-17(3)45)5-4-12-39-30(35)36)29(48)43-24(13-18-6-10-21(11-7-18)42-31(37)38)27(46)40-15-20-9-8-19(26(33)34)14-22(20)32/h6-11,14,16,23-25H,4-5,12-13,15H2,1-3H3,(H3,33,34)(H,40,46)(H,41,45)(H,43,48)(H,44,47)(H4,35,36,39)(H4,37,38,42)/t23-,24-,25-/m0/s1
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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))
BDBM50601736
PNG
(CHEMBL5171870)
Show SMILES Cc1cc(O[C@@H]2C[C@H](Oc3ccc(C(N)=N)c(C)c3)[C@H](C[C@H]2NC(N)=N)NC(N)=N)ccc1C(N)=N |r|
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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))
BDBM50279584
PNG
(CHEMBL485694 | N-[(1S,2S,4R,5R)-5-Guanidino-2,4-bi...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]1-[#8]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#8]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C22H32N12O2/c23-19(24)31-11-1-5-13(6-2-11)35-17-10-18(16(34-22(29)30)9-15(17)33-21(27)28)36-14-7-3-12(4-8-14)32-20(25)26/h1-8,15-18H,9-10H2,(H4,23,24,31)(H4,25,26,32)(H4,27,28,33)(H4,29,30,34)/t15-,16+,17-,18+
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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))
BDBM50601709
PNG
(CHEMBL5189148)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CN(CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
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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))
BDBM50601707
PNG
(CHEMBL5184456)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)C(C)n1cc(nn1)C(CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O |r|
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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))
BDBM50601706
PNG
(CHEMBL5201678)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCCNC(CCCNC(N)=N)c2cn(nn2)C(C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)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(N)=O |r|
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17n/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))
BDBM50448478
PNG
(CHEMBL3126396)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C51H101N27O11/c1-27(70-40(83)30(71-29(3)80)15-8-22-65-47(55)56)39(82)72-33(16-9-23-66-48(57)58)43(86)75-35(18-11-25-68-50(61)62)45(88)76-34(17-10-24-67-49(59)60)44(87)74-31(13-4-6-20-52)41(84)73-32(14-5-7-21-53)42(85)77-36(19-12-26-69-51(63)64)46(89)78-37(28(2)79)38(54)81/h27-28,30-37,79H,4-26,52-53H2,1-3H3,(H2,54,81)(H,70,83)(H,71,80)(H,72,82)(H,73,84)(H,74,87)(H,75,86)(H,76,88)(H,77,85)(H,78,89)(H4,55,56,65)(H4,57,58,66)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)/t27-,28+,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
PDB

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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))
BDBM50448478
PNG
(CHEMBL3126396)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C51H101N27O11/c1-27(70-40(83)30(71-29(3)80)15-8-22-65-47(55)56)39(82)72-33(16-9-23-66-48(57)58)43(86)75-35(18-11-25-68-50(61)62)45(88)76-34(17-10-24-67-49(59)60)44(87)74-31(13-4-6-20-52)41(84)73-32(14-5-7-21-53)42(85)77-36(19-12-26-69-51(63)64)46(89)78-37(28(2)79)38(54)81/h27-28,30-37,79H,4-26,52-53H2,1-3H3,(H2,54,81)(H,70,83)(H,71,80)(H,72,82)(H,73,84)(H,74,87)(H,75,86)(H,76,88)(H,77,85)(H,78,89)(H4,55,56,65)(H4,57,58,66)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)/t27-,28+,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
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19n/an/an/an/an/an/an/an/a


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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))
BDBM50601737
PNG
(CHEMBL5169903)
Show SMILES NC(=N)N[C@@H]1C[C@H](NC(N)=N)[C@H](C[C@H]1Oc1ccc(cn1)C(N)=N)Oc1ccc(cn1)C(N)=N |r|
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20n/an/an/an/an/an/an/an/a


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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))
BDBM50270243
PNG
(CHEMBL525961 | TPRARRRKKRT)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#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]\[#7]=[#6](/[#7])-[#7])-[#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]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C58H112N28O14/c1-30(77-44(90)35(16-8-24-72-54(62)63)84-51(97)40-21-13-29-86(40)52(98)41(61)31(2)87)43(89)78-36(17-9-25-73-55(64)65)47(93)81-38(19-11-27-75-57(68)69)49(95)82-37(18-10-26-74-56(66)67)48(94)80-33(14-4-6-22-59)45(91)79-34(15-5-7-23-60)46(92)83-39(20-12-28-76-58(70)71)50(96)85-42(32(3)88)53(99)100/h30-42,87-88H,4-29,59-61H2,1-3H3,(H,77,90)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,95)(H,83,92)(H,84,97)(H,85,96)(H,99,100)(H4,62,63,72)(H4,64,65,73)(H4,66,67,74)(H4,68,69,75)(H4,70,71,76)/t30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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23n/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))
BDBM50601708
PNG
(CHEMBL5204227)
Show SMILES C[C@@H](O)[C@H](NN(CCCNC(N)N)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
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28n/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))
BDBM50279605
PNG
(CHEMBL487946 | N-[(1S,2S,4R,5R)-5-Guanidino-2,4-bi...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]1-[#8]-c1ccc(cn1)\[#7]=[#6](\[#7])-[#7])-[#8]-c1ccc(cn1)\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C20H30N14O2/c21-17(22)31-9-1-3-15(29-7-9)35-13-6-14(12(34-20(27)28)5-11(13)33-19(25)26)36-16-4-2-10(8-30-16)32-18(23)24/h1-4,7-8,11-14H,5-6H2,(H4,21,22,31)(H4,23,24,32)(H4,25,26,33)(H4,27,28,34)/t11-,12+,13-,14+
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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))
BDBM50279606
PNG
(1-[(1R,2R,4S,5S)-2,4-bis(4-carbamimidamidophenoxy)...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6]-[#6@H](-[#7]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]1-[#8]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#8]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C28H37N13O2/c29-25(30)38-16-3-1-15(2-4-16)37-21-13-22(41-28(35)36)24(43-20-11-7-18(8-12-20)40-27(33)34)14-23(21)42-19-9-5-17(6-10-19)39-26(31)32/h1-12,21-24,37H,13-14H2,(H4,29,30,38)(H4,31,32,39)(H4,33,34,40)(H4,35,36,41)/t21-,22+,23-,24+/m0/s1
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46n/an/an/an/an/an/an/an/a


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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))
BDBM50448477
PNG
(CHEMBL3126401)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C51H103N29O11/c1-29(70-37(83)27-79(77-31(3)82)25-11-23-68-50(61)62)41(86)71-33(15-8-20-65-47(55)56)43(88)73-35(17-10-22-67-49(59)60)45(90)74-34(16-9-21-66-48(57)58)44(89)72-32(13-4-6-18-52)42(87)75-36(14-5-7-19-53)46(91)78-80(26-12-24-69-51(63)64)28-38(84)76-39(30(2)81)40(54)85/h29-30,32-36,39,81H,4-28,52-53H2,1-3H3,(H2,54,85)(H,70,83)(H,71,86)(H,72,89)(H,73,88)(H,74,90)(H,75,87)(H,76,84)(H,77,82)(H,78,91)(H4,55,56,65)(H4,57,58,66)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)/t29-,30+,32-,33-,34-,35-,36-,39-/m0/s1
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46n/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))
BDBM50601738
PNG
(CHEMBL5186188)
Show SMILES NC(=N)N[C@@H]1C[C@H](NC(N)=N)[C@H](C[C@H]1Oc1ccc(C(N)=N)c2ccccc12)Oc1ccc(C(N)=N)c2ccccc12 |r|
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50n/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))
BDBM50279583
PNG
(CHEMBL505581 | N-[(1S,2S,4R,5R)-5-Guanidino-2,4-bi...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]1-[#8]-c1ccc(\[#7]=[#6](\[#7])-[#7])c2ccccc12)-[#8]-c1ccc(\[#7]=[#6](\[#7])-[#7])c2ccccc12 |r|
Show InChI InChI=1S/C30H36N12O2/c31-27(32)39-19-9-11-23(17-7-3-1-5-15(17)19)43-25-14-26(22(42-30(37)38)13-21(25)41-29(35)36)44-24-12-10-20(40-28(33)34)16-6-2-4-8-18(16)24/h1-12,21-22,25-26H,13-14H2,(H4,31,32,39)(H4,33,34,40)(H4,35,36,41)(H4,37,38,42)/t21-,22+,25-,26+
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69n/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
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