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5 similar compounds to monomer 50197498

Compile data set for download or QSAR
Wt: 340.4
BDBM50062457
Wt: 292.3
BDBM50062478
Wt: 354.4
BDBM50066049
Wt: 332.4
BDBM50197495
Wt: 340.4
BDBM50197497

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50062457,50062478,50066049,50197495,50197497   
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
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50066049
PNG
(2-Benzyl-N-hydroxy-2-methyl-N'-(4-phenyl-butyl)-ma...)
Show SMILES CC(Cc1ccccc1)(C(=O)NO)C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C21H26N2O3/c1-21(20(25)23-26,16-18-13-6-3-7-14-18)19(24)22-15-9-8-12-17-10-4-2-5-11-17/h2-7,10-11,13-14,26H,8-9,12,15-16H2,1H3,(H,22,24)(H,23,25)
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380n/an/an/an/an/an/an/an/a



Boehringer Mannheim GmbH

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 3041-7 (1998)


Article DOI: 10.1021/jm980112p
BindingDB Entry DOI: 10.7270/Q2J102B7
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50062457
PNG
(CHEMBL116557 | N-Hydroxy-2-phenethyl-N'-(3-phenyl-...)
Show SMILES ONC(=O)C(CCc1ccccc1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-19(21-15-7-12-16-8-3-1-4-9-16)18(20(24)22-25)14-13-17-10-5-2-6-11-17/h1-6,8-11,18,25H,7,12-15H2,(H,21,23)(H,22,24)
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490n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP8


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50062457
PNG
(CHEMBL116557 | N-Hydroxy-2-phenethyl-N'-(3-phenyl-...)
Show SMILES ONC(=O)C(CCc1ccccc1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-19(21-15-7-12-16-8-3-1-4-9-16)18(20(24)22-25)14-13-17-10-5-2-6-11-17/h1-6,8-11,18,25H,7,12-15H2,(H,21,23)(H,22,24)
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490n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-8 (Human neutrophil collagenase, MMP-8)


J Med Chem 41: 339-45 (1998)


Article DOI: 10.1021/jm9706426
BindingDB Entry DOI: 10.7270/Q2639NWF
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50062478
PNG
(CHEMBL116641 | N-Hydroxy-2-isobutyl-N'-(3-phenyl-p...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C16H24N2O3/c1-12(2)11-14(16(20)18-21)15(19)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14,21H,6,9-11H2,1-2H3,(H,17,19)(H,18,20)
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537n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP8


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50062478
PNG
(CHEMBL116641 | N-Hydroxy-2-isobutyl-N'-(3-phenyl-p...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C16H24N2O3/c1-12(2)11-14(16(20)18-21)15(19)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14,21H,6,9-11H2,1-2H3,(H,17,19)(H,18,20)
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540n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-8 (Human neutrophil collagenase, MMP-8)


J Med Chem 41: 339-45 (1998)


Article DOI: 10.1021/jm9706426
BindingDB Entry DOI: 10.7270/Q2639NWF
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50197495
PNG
(2-(4-benzyl-piperidine-1-carbonyl)-4-methyl-pentan...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H28N2O3/c1-14(2)12-17(18(22)20-24)19(23)21-10-8-16(9-11-21)13-15-6-4-3-5-7-15/h3-7,14,16-17,24H,8-13H2,1-2H3,(H,20,22)
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n/an/a 406n/an/an/an/an/an/a



Inserm

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum FcB1 M1 aminopeptidase


J Med Chem 50: 1322-34 (2007)


Article DOI: 10.1021/jm061169b
BindingDB Entry DOI: 10.7270/Q2M908B3
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50062478
PNG
(CHEMBL116641 | N-Hydroxy-2-isobutyl-N'-(3-phenyl-p...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C16H24N2O3/c1-12(2)11-14(16(20)18-21)15(19)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14,21H,6,9-11H2,1-2H3,(H,17,19)(H,18,20)
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n/an/a 790n/an/an/an/an/an/a



Inserm

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum FcB1 M1 aminopeptidase


J Med Chem 50: 1322-34 (2007)


Article DOI: 10.1021/jm061169b
BindingDB Entry DOI: 10.7270/Q2M908B3
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50197497
PNG
(2-benzyl-N-hydroxy-N'-(4-phenyl-butyl)-malonamide ...)
Show SMILES ONC(=O)C(Cc1ccccc1)C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-19(21-14-8-7-11-16-9-3-1-4-10-16)18(20(24)22-25)15-17-12-5-2-6-13-17/h1-6,9-10,12-13,18,25H,7-8,11,14-15H2,(H,21,23)(H,22,24)
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n/an/a 46n/an/an/an/an/an/a



Inserm

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum FcB1 M1 aminopeptidase


J Med Chem 50: 1322-34 (2007)


Article DOI: 10.1021/jm061169b
BindingDB Entry DOI: 10.7270/Q2M908B3
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50197497
PNG
(2-benzyl-N-hydroxy-N'-(4-phenyl-butyl)-malonamide ...)
Show SMILES ONC(=O)C(Cc1ccccc1)C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-19(21-14-8-7-11-16-9-3-1-4-10-16)18(20(24)22-25)15-17-12-5-2-6-13-17/h1-6,9-10,12-13,18,25H,7-8,11,14-15H2,(H,21,23)(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Inserm

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN


J Med Chem 50: 1322-34 (2007)


Article DOI: 10.1021/jm061169b
BindingDB Entry DOI: 10.7270/Q2M908B3
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50197495
PNG
(2-(4-benzyl-piperidine-1-carbonyl)-4-methyl-pentan...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H28N2O3/c1-14(2)12-17(18(22)20-24)19(23)21-10-8-16(9-11-21)13-15-6-4-3-5-7-15/h3-7,14,16-17,24H,8-13H2,1-2H3,(H,20,22)
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n/an/a 452n/an/an/an/an/an/a



University of Lille 2

Curated by ChEMBL


Assay Description
Inhibition of microsomal neural aminopeptidase in pig kidney


Bioorg Med Chem 15: 63-76 (2006)


Article DOI: 10.1016/j.bmc.2006.10.010
BindingDB Entry DOI: 10.7270/Q23F4P9V
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50062478
PNG
(CHEMBL116641 | N-Hydroxy-2-isobutyl-N'-(3-phenyl-p...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C16H24N2O3/c1-12(2)11-14(16(20)18-21)15(19)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14,21H,6,9-11H2,1-2H3,(H,17,19)(H,18,20)
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n/an/a 528n/an/an/an/an/an/a



University of Lille 2

Curated by ChEMBL


Assay Description
Inhibition of microsomal neural aminopeptidase in pig kidney


Bioorg Med Chem 15: 63-76 (2006)


Article DOI: 10.1016/j.bmc.2006.10.010
BindingDB Entry DOI: 10.7270/Q23F4P9V
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50197497
PNG
(2-benzyl-N-hydroxy-N'-(4-phenyl-butyl)-malonamide ...)
Show SMILES ONC(=O)C(Cc1ccccc1)C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-19(21-14-8-7-11-16-9-3-1-4-10-16)18(20(24)22-25)15-17-12-5-2-6-13-17/h1-6,9-10,12-13,18,25H,7-8,11,14-15H2,(H,21,23)(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Lille 2

Curated by ChEMBL


Assay Description
Inhibition of microsomal neural aminopeptidase in pig kidney


Bioorg Med Chem 15: 63-76 (2006)


Article DOI: 10.1016/j.bmc.2006.10.010
BindingDB Entry DOI: 10.7270/Q23F4P9V
More data for this
Ligand-Target Pair