BindingDB logo
myBDB logout

78 similar compounds to monomer 50101329

Compile data set for download or QSAR
Wt: 300.3
BDBM50095878
Wt: 508.4
BDBM50060161
Wt: 561.4
BDBM50060162
Wt: 345.2
BDBM50118628
Wt: 314.4
BDBM50095875
Wt: 306.7
BDBM50070098
Wt: 409.9
BDBM50031118
Wt: 301.7
BDBM50046875
Wt: 297.3
BDBM50046876
Wt: 273.2
BDBM50046877
Wt: 289.6
BDBM50046878
Wt: 289.6
BDBM50046879
Wt: 306.1
BDBM50046880
Wt: 320.1
BDBM50046882
Purchase
Wt: 306.1
BDBM50046883
Displayed 1 to 15 (of 72 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 55 hits for monomerid = 50095878,50060161,50060162,50118628,50095875,50070098,50031118,50046875,50046876,50046877,50046878,50046879,50046880,50046882,50046883   
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
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50070098
PNG
(CHEMBL3408028)
Show SMILES N=C(NCc1ccco1)Nc1ccc2CCCCc2n1
Show InChI InChI=1S/C15H18N4O/c16-15(17-10-12-5-3-9-20-12)19-14-8-7-11-4-1-2-6-13(11)18-14/h3,5,7-9H,1-2,4,6,10H2,(H3,16,17,18,19)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
214n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX-821002 from human alpha-2 adrenergic receptor in brain prefrontal cortex membrane by liquid scintillation spectrometry


J Med Chem 58: 963-77 (2015)


Article DOI: 10.1021/jm501635e
BindingDB Entry DOI: 10.7270/Q280549P
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50118628
PNG
((R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-fu...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/p-2/t6-,7+,8+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli NM554 by coupled spectrophotometric assay


Bioorg Med Chem 19: 7603-11 (2011)


Article DOI: 10.1016/j.bmc.2011.10.021
BindingDB Entry DOI: 10.7270/Q2JH3MMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50118628
PNG
((R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-fu...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/p-2/t6-,7+,8+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Mycobacterium tuberculosis thymidine monophosphate kinase


Bioorg Med Chem Lett 12: 2695-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00551-6
BindingDB Entry DOI: 10.7270/Q24J0FN8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50118628
PNG
((R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-fu...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/p-2/t6-,7+,8+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50118628
PNG
((R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-fu...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/p-2/t6-,7+,8+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Bioorg Med Chem Lett 13: 3045-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00643-7
BindingDB Entry DOI: 10.7270/Q237798X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046878
PNG
(CHEMBL3319247)
Show SMILES Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046880
PNG
(CHEMBL3319246)
Show SMILES Clc1cc(Cl)cc(NC(=O)c2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-10-4-11(16)6-12(5-10)18-14(20)8-1-2-13-9(3-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046882
PNG
(CHEMBL3319243)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H11Cl2N3O/c16-12-3-1-9(5-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046883
PNG
(CHEMBL3319242)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-1-8(6-12(11)16)14(20)18-10-2-4-13-9(5-10)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046875
PNG
(CHEMBL3319250)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H12ClN3O2/c1-21-14-5-3-11(7-12(14)16)18-15(20)9-2-4-13-10(6-9)8-17-19-13/h2-8H,1H3,(H,17,19)(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046876
PNG
(CHEMBL3319249)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-6-4-12(8-15(14)22-2)18-16(20)10-3-5-13-11(7-10)9-17-19-13/h3-9H,1-2H3,(H,17,19)(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046878
PNG
(CHEMBL3319247)
Show SMILES Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046880
PNG
(CHEMBL3319246)
Show SMILES Clc1cc(Cl)cc(NC(=O)c2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-10-4-11(16)6-12(5-10)18-14(20)8-1-2-13-9(3-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046882
PNG
(CHEMBL3319243)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H11Cl2N3O/c16-12-3-1-9(5-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046883
PNG
(CHEMBL3319242)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-1-8(6-12(11)16)14(20)18-10-2-4-13-9(5-10)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 138n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046875
PNG
(CHEMBL3319250)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H12ClN3O2/c1-21-14-5-3-11(7-12(14)16)18-15(20)9-2-4-13-10(6-9)8-17-19-13/h2-8H,1H3,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046876
PNG
(CHEMBL3319249)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-6-4-12(8-15(14)22-2)18-16(20)10-3-5-13-11(7-10)9-17-19-13/h3-9H,1-2H3,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 185n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046878
PNG
(CHEMBL3319247)
Show SMILES Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.668n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.679n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046880
PNG
(CHEMBL3319246)
Show SMILES Clc1cc(Cl)cc(NC(=O)c2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-10-4-11(16)6-12(5-10)18-14(20)8-1-2-13-9(3-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046882
PNG
(CHEMBL3319243)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H11Cl2N3O/c16-12-3-1-9(5-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 882n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046883
PNG
(CHEMBL3319242)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-1-8(6-12(11)16)14(20)18-10-2-4-13-9(5-10)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046875
PNG
(CHEMBL3319250)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H12ClN3O2/c1-21-14-5-3-11(7-12(14)16)18-15(20)9-2-4-13-10(6-9)8-17-19-13/h2-8H,1H3,(H,17,19)(H,18,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046876
PNG
(CHEMBL3319249)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-6-4-12(8-15(14)22-2)18-16(20)10-3-5-13-11(7-10)9-17-19-13/h3-9H,1-2H3,(H,17,19)(H,18,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046878
PNG
(CHEMBL3319247)
Show SMILES Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046880
PNG
(CHEMBL3319246)
Show SMILES Clc1cc(Cl)cc(NC(=O)c2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-10-4-11(16)6-12(5-10)18-14(20)8-1-2-13-9(3-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046882
PNG
(CHEMBL3319243)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H11Cl2N3O/c16-12-3-1-9(5-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046883
PNG
(CHEMBL3319242)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-1-8(6-12(11)16)14(20)18-10-2-4-13-9(5-10)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50070098
PNG
(CHEMBL3408028)
Show SMILES N=C(NCc1ccco1)Nc1ccc2CCCCc2n1
Show InChI InChI=1S/C15H18N4O/c16-15(17-10-12-5-3-9-20-12)19-14-8-7-11-4-1-2-6-13(11)18-14/h3,5,7-9H,1-2,4,6,10H2,(H3,16,17,18,19)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.70E+4n/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-2 adrenergic receptor in brain prefrontal cortex membrane assessed as inhibition of UK14304-induced [35S]-GTPgamma...


J Med Chem 58: 963-77 (2015)


Article DOI: 10.1021/jm501635e
BindingDB Entry DOI: 10.7270/Q280549P
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095875
PNG
(CHEMBL3590632)
Show SMILES CCCCN1C(=O)\C(=C\NC(C)(C)C)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C19H26N2O2/c1-6-7-11-21-16-13(2)9-8-10-14(16)17(22)15(18(21)23)12-20-19(3,4)5/h8-10,12,20H,6-7,11H2,1-5H3/b15-12+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095878
PNG
(CHEMBL3590629)
Show SMILES CCCCN1C(=O)\C(=C\NC(C)C)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C18H24N2O2/c1-5-6-10-20-16-13(4)8-7-9-14(16)17(21)15(18(20)22)11-19-12(2)3/h7-9,11-12,19H,5-6,10H2,1-4H3/b15-11+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095875
PNG
(CHEMBL3590632)
Show SMILES CCCCN1C(=O)\C(=C\NC(C)(C)C)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C19H26N2O2/c1-6-7-11-21-16-13(2)9-8-10-14(16)17(22)15(18(21)23)12-20-19(3,4)5/h8-10,12,20H,6-7,11H2,1-5H3/b15-12+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095875
PNG
(CHEMBL3590632)
Show SMILES CCCCN1C(=O)\C(=C\NC(C)(C)C)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C19H26N2O2/c1-6-7-11-21-16-13(2)9-8-10-14(16)17(22)15(18(21)23)12-20-19(3,4)5/h8-10,12,20H,6-7,11H2,1-5H3/b15-12+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095878
PNG
(CHEMBL3590629)
Show SMILES CCCCN1C(=O)\C(=C\NC(C)C)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C18H24N2O2/c1-5-6-10-20-16-13(4)8-7-9-14(16)17(21)15(18(20)22)11-19-12(2)3/h7-9,11-12,19H,5-6,10H2,1-4H3/b15-11+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Monoamine oxidase


(Homo sapiens (Human))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOB inhibitor selegili...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOB inhibitor selegili...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Homo sapiens (Human))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyli...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Homo sapiens (Human))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Homo sapiens (Human))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyli...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046876
PNG
(CHEMBL3319249)
Show SMILES COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-6-4-12(8-15(14)22-2)18-16(20)10-3-5-13-11(7-10)9-17-19-13/h3-9H,1-2H3,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 55 total )  |  Next  |  Last  >>