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BDBM100152 7-methoxy-1-methyl-9H-beta-carboline;hydrochloride::7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;hydrochloride::HARMINE::Harmine hydrochloride::MLS002153910::SMR001233259::cid_5359389

SMILES: COc1ccc2c(c1)[nH]c1c(C)nccc21

InChI Key: InChIKey=BXNJHAXVSOCGBA-UHFFFAOYSA-N

Data: 31 KI  62 IC50  1 EC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 94 hits for monomerid = 100152   
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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5n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of human MAOA


Bioorg Med Chem Lett 20: 537-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.106
BindingDB Entry DOI: 10.7270/Q2000264
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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17n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of MAO-A


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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17n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)


Article DOI: 10.1016/j.bmc.2010.11.041
BindingDB Entry DOI: 10.7270/Q2NK3F9X
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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22n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Imidazoline I2 receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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33n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged DYRK1A (unknown origin) expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis in presence of ...


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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166n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged DYRK1B (unknown origin) expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis in presence of ...


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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810n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2C adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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1.13E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Imidazoline I2 receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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1.48E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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2.54E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2A-Adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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3.26E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards NET


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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5.50E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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7.79E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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9.34E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-1A adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards DAT (bovine)


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT5A receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2A adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus-Rattus norvegicus (Rat)-RAT)
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for rat 5-hydroxytryptamine 2A receptor using [3H]-DOB


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards cloned rat 5-hydroxytryptamine 2A receptor by [3H]-ketanserin displacement.


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards cloned rat 5-hydroxytryptamine 2A receptor by [3H]-ketanserin displacement.


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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1.38E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Imidazoline I1 receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.027
BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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5.00E+4n/an/an/an/an/an/an/an/a



Institut f£r Toxikologie

Curated by ChEMBL


Assay Description
Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)


J Med Chem 36: 1136-45 (1993)


Article DOI: 10.1021/jm00061a004
BindingDB Entry DOI: 10.7270/Q2GM87X6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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1.21E+5n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)


Article DOI: 10.1016/j.bmc.2010.11.041
BindingDB Entry DOI: 10.7270/Q2NK3F9X
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/an/an/a 2.48E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human)-Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 12: 1129-32 (2002)


Article DOI: 10.1016/s0960-894x(02)00094-x
BindingDB Entry DOI: 10.7270/Q2CC1006
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 5-p35nck5a


Bioorg Med Chem Lett 12: 1129-32 (2002)


Article DOI: 10.1016/s0960-894x(02)00094-x
BindingDB Entry DOI: 10.7270/Q2CC1006
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 2-cyclin A


Bioorg Med Chem Lett 12: 1129-32 (2002)


Article DOI: 10.1016/s0960-894x(02)00094-x
BindingDB Entry DOI: 10.7270/Q2CC1006
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens-Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (CDK1)-cyclin B


Bioorg Med Chem Lett 12: 1129-32 (2002)


Article DOI: 10.1016/s0960-894x(02)00094-x
BindingDB Entry DOI: 10.7270/Q2CC1006
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 12: 1129-32 (2002)


Article DOI: 10.1016/s0960-894x(02)00094-x
BindingDB Entry DOI: 10.7270/Q2CC1006
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
Inhibition of Fyn kinase


Bioorg Med Chem Lett 12: 1129-32 (2002)


Article DOI: 10.1016/s0960-894x(02)00094-x
BindingDB Entry DOI: 10.7270/Q2CC1006
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
Inhibition of Lyn tyrosine kinase


Bioorg Med Chem Lett 12: 1129-32 (2002)


Article DOI: 10.1016/s0960-894x(02)00094-x
BindingDB Entry DOI: 10.7270/Q2CC1006
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 24: 5037-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.017
BindingDB Entry DOI: 10.7270/Q27H1M51
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 4


(Homo sapiens)
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 7.40E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Dyrk4 (unknown origin) expressed in Escherichia coli using [33P]ATP[gammaP]/DYRKtide as substrate after 5 mins by liquid sci...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens)
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Dyrk2 (unknown origin) expressed in Escherichia coli using [33P]ATP[gammaP]/DYRKtide as substrate after 5 mins by liquid sci...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 166n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Dyrk1B (unknown origin) expressed in Escherichia coli using [33P]ATP[gammaP]/DYRKtide as substrate after 5 mins by liquid sc...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 33n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Dyrk1A (unknown origin) expressed in Escherichia coli using [33P]ATP[gammaP]/DYRKtide as substrate after 5 mins by liquid sc...


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 80n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A (unknown origin) using dynatide 3 as substrate after 10 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens)
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged DYRK2 expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2 as substrate incub...


Eur J Med Chem 112: 209-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 180n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human GST-tagged DYRK1B expressed in insect cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins i...


Eur J Med Chem 112: 209-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 130n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 220n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substr...


Eur J Med Chem 112: 209-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 400n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of tetracycline-inducible EGFP-DYRK1A (unknown origin) expressed in HEK293 cells coexpressing full length human EGFP-tau protein assessed ...


Eur J Med Chem 112: 209-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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