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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 121.1
BDBM10758
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Wt: 107.1
BDBM10999
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Wt: 125.1
BDBM50113835
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Wt: 133.1
BDBM50113851
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Wt: 122.1
BDBM50408786
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Wt: 70.0
BDBM50232678
Wt: 142.5
BDBM50232679
Wt: 138.1
BDBM50232683
Wt: 126.1
BDBM50232684
Wt: 122.1
BDBM50232686
Wt: 108.1
BDBM50232687
Wt: 132.1
BDBM50232691
Wt: 146.1
BDBM50232692
Wt: 126.1
BDBM50232694
Wt: 136.1
BDBM50232696
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 98 hits in this display   
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
Trypsin-1


(Homo sapiens (Human))
BDBM50113835
PNG
(4-Fluoro-benzylamine | 4-fluorobenzylamine | CHEMB...)
Show SMILES NCc1ccc(F)cc1
Show InChI InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
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430n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against bovine trypsin


J Med Chem 45: 2469-83 (2002)


Article DOI: 10.1021/jm0200299
BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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2.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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5.10E+3n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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5.90E+3n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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5.96E+3n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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9.10E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Eur J Pharmacol 482: 335-7 (2003)


Article DOI: 10.1016/j.chembiol.2015.10.013
BindingDB Entry DOI: 10.7270/Q237779J
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat 5HT2A expressed in mouse NIH/3T3 cell membranes after 30 mins by scintillation counting method


J Med Chem 60: 2605-2628 (2017)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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1.10E+4n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against bovine trypsin


J Med Chem 45: 2469-83 (2002)


Article DOI: 10.1021/jm0200299
BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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1.33E+4n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against bovine trypsin


J Med Chem 45: 2469-83 (2002)


Article DOI: 10.1021/jm0200299
BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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1.68E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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1.68E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of the compound was performed using [3H]-ketanserin as the radioligand and stably transfected NIH3T3 cells expressing the 5-hydroxyt...


J Med Chem 45: 1656-64 (2002)


Article DOI: 10.1021/jm010354g
BindingDB Entry DOI: 10.7270/Q23T9GJ6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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1.68E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor expressed NIH3T3 cells using [3H]-ketanserin


Bioorg Med Chem Lett 11: 563-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00010-5
BindingDB Entry DOI: 10.7270/Q29S1Q80
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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2.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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2.35E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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2.50E+4n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged full length LSD1 expressed in Escherichia coli BL21 (DE3) assessed as inactivation constant preincubated f...


Bioorg Med Chem 19: 3709-16 (2011)


Article DOI: 10.1016/j.bmc.2011.02.017
BindingDB Entry DOI: 10.7270/Q2J38SWT
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 catalytic domain


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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1.70E+5n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of bovine PNMT by radiochemical assay


Bioorg Med Chem 16: 542-59 (2008)


Article DOI: 10.1016/j.bmc.2007.08.066
BindingDB Entry DOI: 10.7270/Q24B312R
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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1.79E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro for inhibition of Phenylethanolamine N-Methyltransferase (PNMT)


J Med Chem 39: 3539-46 (1996)


Article DOI: 10.1021/jm9508292
BindingDB Entry DOI: 10.7270/Q2JM28RQ
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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2.20E+5n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of bovine PNMT by radiochemical assay


Bioorg Med Chem 16: 542-59 (2008)


Article DOI: 10.1016/j.bmc.2007.08.066
BindingDB Entry DOI: 10.7270/Q24B312R
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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4.67E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Norepinephrine N-methyltransferase of bovine adrenal glands


J Med Chem 25: 1198-204 (1983)


Article DOI: 10.1021/jm00352a020
BindingDB Entry DOI: 10.7270/Q22V2F57
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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8.54E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phenylethanolamine N-methyl-transferase


J Med Chem 32: 478-86 (1989)


Article DOI: 10.1021/jm00122a032
BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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3.00E+8n/an/an/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of the proteolytic enzyme trypsin.


J Med Chem 42: 5169-80 (2000)


Article DOI: 10.1021/jm9910728
BindingDB Entry DOI: 10.7270/Q2930VD5
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50408786
PNG
(CHEMBL148476)
Show SMILES NCc1ccc(N)cc1
Show InChI InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2
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5.00E+8n/an/an/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of the proteolytic enzyme trypsin.


J Med Chem 42: 5169-80 (2000)


Article DOI: 10.1021/jm9910728
BindingDB Entry DOI: 10.7270/Q2930VD5
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 66n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 80n/an/an/an/an/an/a



Human BioMolecular Research Institute

US Patent


Assay Description
The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...


US Patent US8609708 (2013)


BindingDB Entry DOI: 10.7270/Q2PN9481
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 83n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
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n/an/a 126n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Rattus norvegicus)
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 127n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant rat LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated f...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Mus musculus)
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 128n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant mouse LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Rattus norvegicus)
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
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n/an/a 136n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant rat LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated f...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
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n/an/a 190n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
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n/an/a 214n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged LOXL3 (1 to 753 residues) assessed as reduction in H2O2 production using DAP as substrate pre...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Mus musculus)
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
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n/an/a 227n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant mouse LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 243n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232684
PNG
(CHEMBL4103840)
Show SMILES NCc1ccnc(F)c1
Show InChI InChI=1S/C6H7FN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
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n/an/a 385n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 396n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells spiked into human whole blood assessed as reduction in H2O2 production using...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232694
PNG
(CHEMBL4079586)
Show SMILES NCc1ccncc1F
Show InChI InChI=1S/C6H7FN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H,3,8H2
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n/an/a 431n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase


(Homo sapiens (Human))
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 550n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOX expressed in HEK cells assessed as reduction in H2O2 production using DAP as substrate preincubated f...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232691
PNG
(CHEMBL4068773)
Show SMILES NCc1ccc(cc1)C#N
Show InChI InChI=1S/C8H8N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5,9H2
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n/an/a 670n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 970n/an/an/an/an/an/a



Human BioMolecular Research Institute

US Patent


Assay Description
The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...


US Patent US8609708 (2013)


BindingDB Entry DOI: 10.7270/Q2PN9481
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 970n/an/an/an/an/an/a



Human BioMolecular Research Institute

US Patent


Assay Description
The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...


US Patent US8609708 (2013)


BindingDB Entry DOI: 10.7270/Q2PN9481
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 1.05E+3n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay


Eur J Med Chem 86: 352-63 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232683
PNG
(CHEMBL4066086)
Show SMILES COc1cc(CN)ccn1
Show InChI InChI=1S/C7H10N2O/c1-10-7-4-6(5-8)2-3-9-7/h2-4H,5,8H2,1H3
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n/an/a 1.18E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
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