BindingDB

null

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

InChI Key InChIKey=BXNJHAXVSOCGBA-UHFFFAOYSA-N

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100152

Cytochrome P450 2D6(Homo sapiens (Human))
Institut f£r Toxikologie

Curated by ChEMBL

BDBM100152(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)copy SMILEScopy InChI

Ki: 5.00E+4nMAssay Description:Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)More data for this Ligand-Target Pair

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Details
BindingDB Entry DOI: 10.7270/Q2GM87X6PubMed

Targets 70 ▿
- Dual specificity tyrosine-phosphorylation-regulated kinase 1A 43
- Dual specificity tyrosine-phosphorylation-regulated kinase 2 12
- Dual specificity tyrosine-phosphorylation-regulated kinase 1B 10
- Amine oxidase [flavin-containing] A 10
- Dual specificity protein kinase CLK1 8
- Glycogen synthase kinase-3 beta 8
- Dual specificity tyrosine-phosphorylation-regulated kinase 3 7
- Dual specificity tyrosine-phosphorylation-regulated kinase 4 6
- Platelet-derived growth factor receptor alpha/beta 5
- Cyclin-dependent kinase 5 activator 1 4
- Dual specificity protein kinase CLK4 3
- Dual specificity protein kinase CLK3 3
- Dual specificity protein kinase CLK2 3
- Acetylcholinesterase 3
- Histone deacetylase 1 3
- Chitinase 2
- Serine/threonine-protein kinase haspin 2
- Mitogen-activated protein kinase 1 2
- Tyrosine-protein kinase Lck 2
- Histone deacetylase 2
- 5-hydroxytryptamine receptor 5A 2
- Serine/threonine-protein kinase pim-3 2
- Tyrosine-protein kinase Fyn 2
- Nischarin 2
- Serine/threonine-protein kinase pim-1 2
- Tyrosine-protein kinase Lyn 2
- Sodium-dependent serotonin transporter 1
- Casein kinase I delta/epsilon 1
- Glycogen synthase kinase-3 1
- O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139 1
- Cyclin-dependent kinase 9 1
- Sodium-dependent noradrenaline transporter 1
- Cyclin-dependent kinase 7 1
- Cyclin-dependent kinase 5 1
- Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 1
- Beta-2 adrenergic receptor 1
- Cyclin-A2/Cyclin-dependent kinase 2 1
- Cyclin-T1/Cyclin-dependent kinase 9 1
- Beta-1 adrenergic receptor 1
- Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 1
- 5-hydroxytryptamine receptor 1B 1
- Cyclin-H/Cyclin-dependent kinase 7 1
- 5-hydroxytryptamine receptor 1A 1
- Metabotropic glutamate receptor 1/2/3/4/5/6/7/8 1
- Broad substrate specificity ATP-binding cassette transporter ABCG2 1
- Glycogen synthase kinase-3 alpha 1
- 5-hydroxytryptamine receptor 1D 1
- Alpha-1A adrenergic receptor 1
- Amine oxidase [flavin-containing] B 1
- Casein kinase I isoform delta 1
- Alpha-2B adrenergic receptor 1
- Sodium-dependent dopamine transporter 1
- Cholinesterase 1
- Cyclin-dependent kinase 2 1
- Cyclin-dependent kinase 1 1
- Alpha-2C adrenergic receptor 1
- Alpha-1B adrenergic receptor 1
- cAMP-dependent protein kinase catalytic subunit gamma 1
- Rho-associated protein kinase 2 1
- Kallikrein-7 1
- Rho-associated protein kinase 1 1
- 5-hydroxytryptamine receptor 2C 1
- Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 1
- 5-hydroxytryptamine receptor 2A 1
- 5-hydroxytryptamine receptor 7 1
- Casein kinase I isoform epsilon 1
- 5-hydroxytryptamine receptor 6 1
- Cytochrome P450 2D6 1
- D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor 1
- Alpha-2A adrenergic receptor 1
- ...
Publications 36 ▿
- Bioorg Med Chem Lett 13: 4421-5 (2003) 23
- J Med Chem 55: 9312-30 (2012) 19
- Bioorg Med Chem Lett 12: 1129-32 (2002) 7
- Eur J Med Chem 59: 283-95 (2013) 6
- J Med Chem 60: 2052-2070 (2017) 5
- Eur J Med Chem 112: 209-16 (2016) 5
- J Med Chem 61: 9791-9810 (2018) 5
- Biochem J 408: 297-315 (2007) 5
- J Med Chem 58: 2834-44 (2015) 4
- Eur J Med Chem 123: 105-114 (2016) 4
- Eur J Med Chem 124: 920-934 (2016) 4
- Bioorg Med Chem Lett 22: 2015-9 (2012) 3
- J Med Chem 61: 7687-7699 (2018) 2
- ACS Med Chem Lett 6: 339-43 (2015) 2
- Bioorg Med Chem Lett 23: 3654-61 (2013) 2
- Bioorg Med Chem 19: 134-44 (2011) 2
- J Med Chem 63: 2958-2973 (2020) 1
- Eur J Med Chem 144: 398-409 (2018) 1
- Bioorg Med Chem Lett 20: 537-40 (2010) 1
- J Med Chem 63: 2986-3003 (2020) 1
- Eur J Med Chem 158: 620-706 (2018) 1
- Bioorg Med Chem Lett 27: 2617-2621 (2017) 1
- J Med Chem 59: 6121-35 (2016) 1
- Bioorg Med Chem Lett 22: 2885-8 (2012) 1
- J Med Chem 54: 5320-34 (2011) 1
- J Nat Prod 82: 1442-1450 (2019) 1
- J Med Chem 46: 3930-7 (2003) 1
- J Med Chem 55: 6489-501 (2012) 1
- J Med Chem 36: 1136-45 (1993) 1
- Eur J Med Chem 168: 515-526 (2019) 1
- Bioorg Med Chem Lett 24: 5037-40 (2014) 1
- J Med Chem 56: 9569-85 (2014) 1
- Bioorg Med Chem Lett 27: 2663-2667 (2017) 1
- PubChem Bioassay (2013) 1
- J Med Chem 39: 817-25 (1996) 1
- Bioorg Med Chem Lett 25: 2948-52 (2015) 1
Institutions 32 ▿
- [Virginia Commonwealth University] 24
- [CNRS] 23
- [Institute of Molecular and Cell Biology] 7
- [Universit£ de Rouen] 6
- [Saarland University, QIMR Berghofer Medical Research Institute, University of Dundee, Seoul National University] 5
- [Saarland University, QIMR Berghofer Medical Research Institute, University of Dundee, Seoul National University] 5
- [Saarland University, QIMR Berghofer Medical Research Institute, University of Dundee, Seoul National University] 5
- [Saarland University, QIMR Berghofer Medical Research Institute, University of Dundee, Seoul National University] 5
- [Universit£ Paris-Saclay, AstraZeneca] 4
- [Universit£ Paris-Saclay, AstraZeneca] 4
- [Nantong University, Harvard Medical School] 3
- [Nantong University, Harvard Medical School] 3
- [TBA, The Scripps Research Institute, University of Kansas Specialized Chemistry Center, Facult£s Universitaires Notre-Dame de la Paix] 2
- [TBA, The Scripps Research Institute, University of Kansas Specialized Chemistry Center, Facult£s Universitaires Notre-Dame de la Paix] 2
- [TBA, The Scripps Research Institute, University of Kansas Specialized Chemistry Center, Facult£s Universitaires Notre-Dame de la Paix] 2
- [TBA, The Scripps Research Institute, University of Kansas Specialized Chemistry Center, Facult£s Universitaires Notre-Dame de la Paix] 2
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
- [Institut f£r Toxikologie, Abbott Laboratories, Naresuan University, UPR 2301, CNRS, Rajiv Gandhi Proudyogiki Vishwavidyalaya, University of Bonn, India; Academy of Scientific& Innovative Research (AcSIR), The Scripps Research Institute Molecular Screening Center, Indian CSIR-Central Drug Research Institute, Universit£ de Nantes, University of Namur, Rigel Pharmaceuticals, Inc., University of Namur (FUNDP), Genomics Institute of the Novartis Research Foundation (GNF), University of Cambridge, Icahn School of Medicine at Mount Sinai] 1
Affinity: 1 to 2.5E+5 nM▿
- Ki 33
- IC50 155
- Kd 5
- EC50 1
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1