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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'angeli' and Initial = 'l'   
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
Polyamine oxidase


(Zea mays)
BDBM50294105
PNG
(1-(Guanidino)-17-(N1-(methylcyclopropyl)guanidino)...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6]-[#6]-1-[#6]-[#6]-1 |w:21.20|
Show InChI InChI=1S/C22H47N7/c23-21(24)27-17-11-7-3-1-5-9-15-26-16-10-6-2-4-8-12-18-28-22(25)29-19-20-13-14-20/h20,26H,1-19H2,(H4,23,24,27)(H3,25,28,29)
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0.0800n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294107
PNG
(1-(Guanidino)-17-(N1-(beta-methylallyl)guanidino)-...)
Show SMILES [#6]-[#6](=[#6])-[#6]-[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |w:8.8|
Show InChI InChI=1S/C23H49N7/c1-21(2)15-20-30-23(26)29-19-14-10-6-4-8-12-17-27-16-11-7-3-5-9-13-18-28-22(24)25/h27H,1,3-20H2,2H3,(H4,24,25,28)(H3,26,29,30)
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0.5n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294109
PNG
(1-(Guanidino)-17-(N1-(propargyl)guanidino)-9-azahe...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6]C#C |w:21.20|
Show InChI InChI=1S/C21H43N7/c1-2-15-27-21(24)28-19-14-10-6-4-8-12-17-25-16-11-7-3-5-9-13-18-26-20(22)23/h1,25H,3-19H2,(H4,22,23,26)(H3,24,27,28)
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0.700n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294108
PNG
(1-(Guanidino)-17-(N1-(benzyl)guanidino)-9-azahepta...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6]-c1ccccc1 |w:21.20|
Show InChI InChI=1S/C25H47N7/c26-24(27)30-20-14-7-3-1-5-12-18-29-19-13-6-2-4-8-15-21-31-25(28)32-22-23-16-10-9-11-17-23/h9-11,16-17,29H,1-8,12-15,18-22H2,(H4,26,27,30)(H3,28,31,32)
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1n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294106
PNG
(1-(Guanidino)-17-(N1-(gamma-methylallyl)guanidino)...)
Show SMILES [#6]\[#6]=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |w:7.7|
Show InChI InChI=1S/C22H47N7/c1-2-3-18-28-22(25)29-20-15-11-7-5-9-13-17-26-16-12-8-4-6-10-14-19-27-21(23)24/h2-3,26H,4-20H2,1H3,(H4,23,24,27)(H3,25,28,29)/b3-2+
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1.10n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294110
PNG
(1,1'-(8,8'-azanediylbis(octane-8,1-diyl))bis(3-(3-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7]-[#6]\[#6]=[#6](\[#6])-[#6] |w:29.29,8.8|
Show InChI InChI=1S/C28H57N7/c1-25(2)17-23-34-27(29)32-21-15-11-7-5-9-13-19-31-20-14-10-6-8-12-16-22-33-28(30)35-24-18-26(3)4/h17-18,31H,5-16,19-24H2,1-4H3,(H3,29,32,34)(H3,30,33,35)
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1.70n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294104
PNG
(1-(Guanidino)-17-(N1-(gamma,gamma-dimethylallyl)gu...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |w:8.8|
Show InChI InChI=1S/C23H49N7/c1-21(2)15-20-30-23(26)29-19-14-10-6-4-8-12-17-27-16-11-7-3-5-9-13-18-28-22(24)25/h15,27H,3-14,16-20H2,1-2H3,(H4,24,25,28)(H3,26,29,30)
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3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50032500
PNG
(1,1'-(8,8'-azanediylbis(octane-8,1-diyl))diguanidi...)
Show SMILES NC(=N)NCCCCCCCCNCCCCCCCCNC(N)=N
Show InChI InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)
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7.5n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyamine oxidase


(Zea mays)
BDBM50294112
PNG
(1-(5-aminopentyl)-3-(3-methylbut-2-enyl)guanidine ...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7] |w:8.8|
Show InChI InChI=1S/C11H24N4/c1-10(2)6-9-15-11(13)14-8-5-3-4-7-12/h6H,3-5,7-9,12H2,1-2H3,(H3,13,14,15)
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10n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294111
PNG
(1-(4-aminobutyl)-3-(3-methylbut-2-enyl)guanidine |...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#7] |w:8.8|
Show InChI InChI=1S/C10H22N4/c1-9(2)5-8-14-10(12)13-7-4-3-6-11/h5H,3-4,6-8,11H2,1-2H3,(H3,12,13,14)
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15n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294113
PNG
(1-(6-aminohexyl)-3-(3-methylbut-2-enyl)guanidine |...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7] |w:8.8|
Show InChI InChI=1S/C12H26N4/c1-11(2)7-10-16-12(14)15-9-6-4-3-5-8-13/h7H,3-6,8-10,13H2,1-2H3,(H3,14,15,16)
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22n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294114
PNG
(1-allyl-3-(4-aminobutyl)guanidine | CHEMBL541766)
Show SMILES NCCCCN=C(N)NCC=C |w:5.4|
Show InChI InChI=1S/C8H18N4/c1-2-6-11-8(10)12-7-4-3-5-9/h2H,1,3-7,9H2,(H3,10,11,12)
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130n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294095
PNG
(1-(4-aminobutyl)-3-(prop-2-ynyl)guanidine | CHEMBL...)
Show SMILES NCCCCN=C(N)NCC#C |w:5.4|
Show InChI InChI=1S/C8H16N4/c1-2-6-11-8(10)12-7-4-3-5-9/h1H,3-7,9H2,(H3,10,11,12)
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250n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50129716
PNG
(1,8-diaminooctane | CHEMBL29392 | OCTANE 1,8-DIAMI...)
Show SMILES NCCCCCCCCN
Show InChI InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
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300n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyamine oxidase


(Zea mays)
BDBM50294094
PNG
(1-(4-aminobutyl)-3-(4-fluorophenyl)guanidine | CHE...)
Show SMILES NCCCCN=C(N)Nc1ccc(F)cc1 |w:5.4|
Show InChI InChI=1S/C11H17FN4/c12-9-3-5-10(6-4-9)16-11(14)15-8-2-1-7-13/h3-6H,1-2,7-8,13H2,(H3,14,15,16)
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630n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294103
PNG
(4-[N3-gamma,gamma-Dimethyallyl)guanidino]-1-guanid...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |w:8.8|
Show InChI InChI=1S/C11H24N6/c1-9(2)5-8-17-11(14)16-7-4-3-6-15-10(12)13/h5H,3-4,6-8H2,1-2H3,(H4,12,13,15)(H3,14,16,17)
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700n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294100
PNG
(CHEMBL550832 | N1-(5-Aminopentyl)-N3-(3-methoxyben...)
Show SMILES COc1cccc(CNC(N)=NCCCCCN)c1 |w:11.11|
Show InChI InChI=1S/C14H24N4O/c1-19-13-7-5-6-12(10-13)11-18-14(16)17-9-4-2-3-8-15/h5-7,10H,2-4,8-9,11,15H2,1H3,(H3,16,17,18)
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1.15E+3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294102
PNG
(CHEMBL553638 | N1-[3'-Aminopropyl)-3-aminopropyl]-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#7] |w:8.8|
Show InChI InChI=1S/C12H27N5/c1-11(2)5-10-17-12(14)16-9-4-8-15-7-3-6-13/h5,15H,3-4,6-10,13H2,1-2H3,(H3,14,16,17)
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1.21E+3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294096
PNG
(CHEMBL561237 | N-(3-Methyl-but-2-enyl)-N'-{4-[N'-(...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7]-[#6]\[#6]=[#6](\[#6])-[#6] |w:16.16,8.8|
Show InChI InChI=1S/C16H32N6/c1-13(2)7-11-21-15(17)19-9-5-6-10-20-16(18)22-12-8-14(3)4/h7-8H,5-6,9-12H2,1-4H3,(H3,17,19,21)(H3,18,20,22)
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1.50E+3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294099
PNG
(CHEMBL561962 | N1-(5-Aminopentyl)-N3[(E)-3-phenyl-...)
Show SMILES NCCCCCN=C(N)NC\C=C\c1ccccc1 |w:6.5|
Show InChI InChI=1S/C15H24N4/c16-11-5-2-6-12-18-15(17)19-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10H,2,5-6,11-13,16H2,(H3,17,18,19)/b10-7+
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1.53E+3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294097
PNG
(CHEMBL550629 | N1-(5-Aminopentyl)-N3-(cyclohexylet...)
Show SMILES NCCCCCN=C(N)NCCC1CCCCC1 |w:6.5|
Show InChI InChI=1S/C14H30N4/c15-10-5-2-6-11-17-14(16)18-12-9-13-7-3-1-4-8-13/h13H,1-12,15H2,(H3,16,17,18)
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1.72E+3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM50294098
PNG
(CHEMBL552343 | N1-(5-Aminopentyl)-N3-(cyclopropylm...)
Show SMILES NCCCCCN=C(N)NCC1CC1 |w:6.5|
Show InChI InChI=1S/C10H22N4/c11-6-2-1-3-7-13-10(12)14-8-9-4-5-9/h9H,1-8,11H2,(H3,12,13,14)
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2.58E+3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Polyamine oxidase


(Zea mays)
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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3.00E+3n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294101
PNG
(CHEMBL558092 | N1-Benzylamine-N3-(gamma,gamma-dime...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-c1ccc(-[#6]-[#7])cc1 |w:8.8|
Show InChI InChI=1S/C13H20N4/c1-10(2)7-8-16-13(15)17-12-5-3-11(9-14)4-6-12/h3-7H,8-9,14H2,1-2H3,(H3,15,16,17)
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1.80E+4n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50427868
PNG
(CHEMBL2326366)
Show SMILES OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H19FO5S/c23-13-14-28-19-9-5-16(6-10-19)17-7-11-20(12-8-17)29(26,27)21-4-2-1-3-18(21)15-22(24)25/h1-12H,13-15H2,(H,24,25)
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n/an/a 16n/an/an/an/an/an/a



Universit£ del Piemonte Orientale"Amedeo Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of MMP-2 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay


J Med Chem 56: 2676-89 (2013)


Article DOI: 10.1021/jm4001743
BindingDB Entry DOI: 10.7270/Q2028SWH
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50427868
PNG
(CHEMBL2326366)
Show SMILES OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H19FO5S/c23-13-14-28-19-9-5-16(6-10-19)17-7-11-20(12-8-17)29(26,27)21-4-2-1-3-18(21)15-22(24)25/h1-12H,13-15H2,(H,24,25)
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n/an/a 22n/an/an/an/an/an/a



Universit£ del Piemonte Orientale"Amedeo Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of MMP-13 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay


J Med Chem 56: 2676-89 (2013)


Article DOI: 10.1021/jm4001743
BindingDB Entry DOI: 10.7270/Q2028SWH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50427868
PNG
(CHEMBL2326366)
Show SMILES OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H19FO5S/c23-13-14-28-19-9-5-16(6-10-19)17-7-11-20(12-8-17)29(26,27)21-4-2-1-3-18(21)15-22(24)25/h1-12H,13-15H2,(H,24,25)
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n/an/a 44n/an/an/an/an/an/a



Universit£ del Piemonte Orientale"Amedeo Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of MMP-12 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay


J Med Chem 56: 2676-89 (2013)


Article DOI: 10.1021/jm4001743
BindingDB Entry DOI: 10.7270/Q2028SWH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50427869
PNG
(CHEMBL2326365)
Show SMILES OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)CF)cc1
Show InChI InChI=1S/C22H18FNO5S/c23-14-21(25)24-18-9-5-15(6-10-18)16-7-11-19(12-8-16)30(28,29)20-4-2-1-3-17(20)13-22(26)27/h1-12H,13-14H2,(H,24,25)(H,26,27)
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n/an/a 61n/an/an/an/an/an/a



Universit£ del Piemonte Orientale"Amedeo Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of MMP-2 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay


J Med Chem 56: 2676-89 (2013)


Article DOI: 10.1021/jm4001743
BindingDB Entry DOI: 10.7270/Q2028SWH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50427868
PNG
(CHEMBL2326366)
Show SMILES OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H19FO5S/c23-13-14-28-19-9-5-16(6-10-19)17-7-11-20(12-8-17)29(26,27)21-4-2-1-3-18(21)15-22(24)25/h1-12H,13-15H2,(H,24,25)
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n/an/a 107n/an/an/an/an/an/a



Universit£ del Piemonte Orientale"Amedeo Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of MMP-9 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay


J Med Chem 56: 2676-89 (2013)


Article DOI: 10.1021/jm4001743
BindingDB Entry DOI: 10.7270/Q2028SWH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341636
PNG
((3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-MET...)
Show SMILES CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1
Show InChI InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
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n/an/a 152n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359981
PNG
(CHEMBL1927770)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C34H24F6N4O2S/c35-33(36,37)23-14-21(15-24(18-23)34(38,39)40)17-30(45)42-26(16-20-6-2-1-3-7-20)31(46)41-25-12-10-22(11-13-25)27-19-44-28-8-4-5-9-29(28)47-32(44)43-27/h1-15,18-19,26H,16-17H2,(H,41,46)(H,42,45)/t26-/m0/s1
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n/an/a 171n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359982
PNG
(CHEMBL1927771)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C34H24F6N4O2S/c35-33(36,37)23-14-21(15-24(18-23)34(38,39)40)17-30(45)42-26(16-20-6-2-1-3-7-20)31(46)41-25-12-10-22(11-13-25)27-19-44-28-8-4-5-9-29(28)47-32(44)43-27/h1-15,18-19,26H,16-17H2,(H,41,46)(H,42,45)/t26-/m1/s1
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n/an/a 206n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50427869
PNG
(CHEMBL2326365)
Show SMILES OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)CF)cc1
Show InChI InChI=1S/C22H18FNO5S/c23-14-21(25)24-18-9-5-15(6-10-18)16-7-11-19(12-8-16)30(28,29)20-4-2-1-3-17(20)13-22(26)27/h1-12H,13-14H2,(H,24,25)(H,26,27)
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n/an/a 220n/an/an/an/an/an/a



Universit£ del Piemonte Orientale"Amedeo Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of MMP-13 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay


J Med Chem 56: 2676-89 (2013)


Article DOI: 10.1021/jm4001743
BindingDB Entry DOI: 10.7270/Q2028SWH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341636
PNG
((3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-MET...)
Show SMILES CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1
Show InChI InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
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n/an/a 228n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human GTL16 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50427870
PNG
(CHEMBL2326364)
Show SMILES OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H15FO4S/c21-17-9-5-14(6-10-17)15-7-11-18(12-8-15)26(24,25)19-4-2-1-3-16(19)13-20(22)23/h1-12H,13H2,(H,22,23)
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n/an/a 230n/an/an/an/an/an/a



Universit£ del Piemonte Orientale"Amedeo Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of MMP-2 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay


J Med Chem 56: 2676-89 (2013)


Article DOI: 10.1021/jm4001743
BindingDB Entry DOI: 10.7270/Q2028SWH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359981
PNG
(CHEMBL1927770)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C34H24F6N4O2S/c35-33(36,37)23-14-21(15-24(18-23)34(38,39)40)17-30(45)42-26(16-20-6-2-1-3-7-20)31(46)41-25-12-10-22(11-13-25)27-19-44-28-8-4-5-9-29(28)47-32(44)43-27/h1-15,18-19,26H,16-17H2,(H,41,46)(H,42,45)/t26-/m0/s1
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CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human HepG2 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50427870
PNG
(CHEMBL2326364)
Show SMILES OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H15FO4S/c21-17-9-5-14(6-10-17)15-7-11-18(12-8-15)26(24,25)19-4-2-1-3-16(19)13-20(22)23/h1-12H,13H2,(H,22,23)
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n/an/a 386n/an/an/an/an/an/a



Universit£ del Piemonte Orientale"Amedeo Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of MMP-13 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay


J Med Chem 56: 2676-89 (2013)


Article DOI: 10.1021/jm4001743
BindingDB Entry DOI: 10.7270/Q2028SWH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50427870
PNG
(CHEMBL2326364)
Show SMILES OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H15FO4S/c21-17-9-5-14(6-10-17)15-7-11-18(12-8-15)26(24,25)19-4-2-1-3-16(19)13-20(22)23/h1-12H,13H2,(H,22,23)
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n/an/a 400n/an/an/an/an/an/a



Universit£ del Piemonte Orientale"Amedeo Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of MMP-12 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay


J Med Chem 56: 2676-89 (2013)


Article DOI: 10.1021/jm4001743
BindingDB Entry DOI: 10.7270/Q2028SWH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50427869
PNG
(CHEMBL2326365)
Show SMILES OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)CF)cc1
Show InChI InChI=1S/C22H18FNO5S/c23-14-21(25)24-18-9-5-15(6-10-18)16-7-11-19(12-8-16)30(28,29)20-4-2-1-3-17(20)13-22(26)27/h1-12H,13-14H2,(H,24,25)(H,26,27)
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n/an/a 500n/an/an/an/an/an/a



Universit£ del Piemonte Orientale"Amedeo Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of MMP-12 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay


J Med Chem 56: 2676-89 (2013)


Article DOI: 10.1021/jm4001743
BindingDB Entry DOI: 10.7270/Q2028SWH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359983
PNG
(CHEMBL1927769)
Show SMILES Cc1cc(C)cc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)c1 |r|
Show InChI InChI=1S/C34H30N4O2S/c1-22-16-23(2)18-25(17-22)20-32(39)36-28(19-24-8-4-3-5-9-24)33(40)35-27-14-12-26(13-15-27)29-21-38-30-10-6-7-11-31(30)41-34(38)37-29/h3-18,21,28H,19-20H2,1-2H3,(H,35,40)(H,36,39)/t28-/m1/s1
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n/an/a 559n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359984
PNG
(CHEMBL1927768)
Show SMILES Cc1cc(C)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)c1 |r|
Show InChI InChI=1S/C34H30N4O2S/c1-22-16-23(2)18-25(17-22)20-32(39)36-28(19-24-8-4-3-5-9-24)33(40)35-27-14-12-26(13-15-27)29-21-38-30-10-6-7-11-31(30)41-34(38)37-29/h3-18,21,28H,19-20H2,1-2H3,(H,35,40)(H,36,39)/t28-/m0/s1
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n/an/a 607n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359982
PNG
(CHEMBL1927771)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C34H24F6N4O2S/c35-33(36,37)23-14-21(15-24(18-23)34(38,39)40)17-30(45)42-26(16-20-6-2-1-3-7-20)31(46)41-25-12-10-22(11-13-25)27-19-44-28-8-4-5-9-29(28)47-32(44)43-27/h1-15,18-19,26H,16-17H2,(H,41,46)(H,42,45)/t26-/m1/s1
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n/an/a 620n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human HepG2 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359985
PNG
(CHEMBL1927772)
Show SMILES Fc1cc(F)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)c1 |r|
Show InChI InChI=1S/C32H24F2N4O2S/c33-23-14-21(15-24(34)18-23)17-30(39)36-26(16-20-6-2-1-3-7-20)31(40)35-25-12-10-22(11-13-25)27-19-38-28-8-4-5-9-29(28)41-32(38)37-27/h1-15,18-19,26H,16-17H2,(H,35,40)(H,36,39)/t26-/m0/s1
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n/an/a 760n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359986
PNG
(CHEMBL1927625)
Show SMILES Cc1cc(C)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c4CCCCc4sc3n2)c1 |r|
Show InChI InChI=1S/C34H34N4O2S/c1-22-16-23(2)18-25(17-22)20-32(39)36-28(19-24-8-4-3-5-9-24)33(40)35-27-14-12-26(13-15-27)29-21-38-30-10-6-7-11-31(30)41-34(38)37-29/h3-5,8-9,12-18,21,28H,6-7,10-11,19-20H2,1-2H3,(H,35,40)(H,36,39)/t28-/m0/s1
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n/an/a 793n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359981
PNG
(CHEMBL1927770)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C34H24F6N4O2S/c35-33(36,37)23-14-21(15-24(18-23)34(38,39)40)17-30(45)42-26(16-20-6-2-1-3-7-20)31(46)41-25-12-10-22(11-13-25)27-19-44-28-8-4-5-9-29(28)47-32(44)43-27/h1-15,18-19,26H,16-17H2,(H,41,46)(H,42,45)/t26-/m0/s1
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n/an/a 811n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human GTL16 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359982
PNG
(CHEMBL1927771)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C34H24F6N4O2S/c35-33(36,37)23-14-21(15-24(18-23)34(38,39)40)17-30(45)42-26(16-20-6-2-1-3-7-20)31(46)41-25-12-10-22(11-13-25)27-19-44-28-8-4-5-9-29(28)47-32(44)43-27/h1-15,18-19,26H,16-17H2,(H,41,46)(H,42,45)/t26-/m1/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human GTL16 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50427869
PNG
(CHEMBL2326365)
Show SMILES OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)CF)cc1
Show InChI InChI=1S/C22H18FNO5S/c23-14-21(25)24-18-9-5-15(6-10-18)16-7-11-19(12-8-16)30(28,29)20-4-2-1-3-17(20)13-22(26)27/h1-12H,13-14H2,(H,24,25)(H,26,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ del Piemonte Orientale"Amedeo Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of MMP-9 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay


J Med Chem 56: 2676-89 (2013)


Article DOI: 10.1021/jm4001743
BindingDB Entry DOI: 10.7270/Q2028SWH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359984
PNG
(CHEMBL1927768)
Show SMILES Cc1cc(C)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)c1 |r|
Show InChI InChI=1S/C34H30N4O2S/c1-22-16-23(2)18-25(17-22)20-32(39)36-28(19-24-8-4-3-5-9-24)33(40)35-27-14-12-26(13-15-27)29-21-38-30-10-6-7-11-31(30)41-34(38)37-29/h3-18,21,28H,19-20H2,1-2H3,(H,35,40)(H,36,39)/t28-/m0/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human HepG2 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341636
PNG
((3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-MET...)
Show SMILES CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1
Show InChI InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
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n/an/a 1.56E+3n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human HepG2 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50427868
PNG
(CHEMBL2326366)
Show SMILES OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H19FO5S/c23-13-14-28-19-9-5-16(6-10-19)17-7-11-20(12-8-17)29(26,27)21-4-2-1-3-18(21)15-22(24)25/h1-12H,13-15H2,(H,24,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ del Piemonte Orientale"Amedeo Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric a...


J Med Chem 56: 2676-89 (2013)


Article DOI: 10.1021/jm4001743
BindingDB Entry DOI: 10.7270/Q2028SWH
More data for this
Ligand-Target Pair
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