Found 260 hits of ki for UniProtKB: P11086 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13014
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 1.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to human wild type his-tagged PNMT |
J Med Chem 48: 7243-52 (2005)
Article DOI: 10.1021/jm050568o BindingDB Entry DOI: 10.7270/Q2QC049M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50554691
(CHEMBL4764318)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01475 BindingDB Entry DOI: 10.7270/Q2MK6HJQ |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13014
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2 | PDB MMDB
Reactome pathway KEGG
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Dissociation constant(Ki) of compound was determined to measure PNMT-inhibitory potency |
J Med Chem 23: 506-11 (1980)
BindingDB Entry DOI: 10.7270/Q2F47N5S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13014
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2 | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline& French Laboratories
Curated by ChEMBL
| Assay Description Binding affinity for phenylethanolamine N-methyl-transferase was determined. |
J Med Chem 32: 1566-71 (1989)
BindingDB Entry DOI: 10.7270/Q2QZ2BJV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13014
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2 | PDB MMDB
Reactome pathway KEGG
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibitory binding affinity for phenylethanolamine N-methyltransferase (PNMT) |
Bioorg Med Chem Lett 14: 4217-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.009 BindingDB Entry DOI: 10.7270/Q2R49Q6M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13014
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2 | PDB MMDB
Reactome pathway KEGG
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of [3H]-methyl-AdoMet binding to human phenylethnolamine N-methyltransferase expressed in E. coli BL21 |
J Med Chem 47: 4483-93 (2004)
Article DOI: 10.1021/jm0400653 BindingDB Entry DOI: 10.7270/Q20G3JM8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13014
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2 | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description In vitro binding affinity against human phenylethanolamine N-Methyltransferase |
J Med Chem 48: 134-40 (2005)
Article DOI: 10.1021/jm049368n BindingDB Entry DOI: 10.7270/Q2513XQ7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13014
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2 | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 3.10 | -12.1 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
University of Kansas
| Assay Description Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a... |
J Med Chem 49: 5424-33 (2006)
Article DOI: 10.1021/jm060466d BindingDB Entry DOI: 10.7270/Q2DB802Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13014
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2 | PDB MMDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description Binding affinity to human PNMT |
Bioorg Med Chem 15: 1298-310 (2007)
Article DOI: 10.1016/j.bmc.2006.11.010 BindingDB Entry DOI: 10.7270/Q2HD7V9F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13014
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2 | PDB MMDB
Reactome pathway KEGG
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description Inhibitory activity against human PNMT |
Bioorg Med Chem Lett 15: 5319-23 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.033 BindingDB Entry DOI: 10.7270/Q20V8CB9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50554692
(CHEMBL4751862)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01475 BindingDB Entry DOI: 10.7270/Q2MK6HJQ |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50554690
(CHEMBL4782649)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01475 BindingDB Entry DOI: 10.7270/Q2MK6HJQ |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50554695
(CHEMBL4760727)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2Cc3ccc(cc3CN2)[N+]([O-])=O)[C@@H](O)[C@H]1O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01475 BindingDB Entry DOI: 10.7270/Q2MK6HJQ |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50554693
(CHEMBL4800292)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2Cc3ccc(cc3CN2)[N+]([O-])=O)[C@@H](O)[C@H]1O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01475 BindingDB Entry DOI: 10.7270/Q2MK6HJQ |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50554689
(CHEMBL4754656)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01475 BindingDB Entry DOI: 10.7270/Q2MK6HJQ |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50081952
(((R)-7-Bromo-1,2,3,4-tetrahydro-isoquinolin-3-yl)-...)Show InChI InChI=1S/C10H12BrNO/c11-9-2-1-7-4-10(6-13)12-5-8(7)3-9/h1-3,10,12-13H,4-6H2/t10-/m1/s1 | PDB MMDB
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| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibitory binding affinity for phenylethanolamine N-methyltransferase (PNMT) |
Bioorg Med Chem Lett 14: 4217-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.009 BindingDB Entry DOI: 10.7270/Q2R49Q6M |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM14061
(8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...)Show InChI InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2 | PDB MMDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibitory binding affinity for phenylethanolamine N-methyltransferase (PNMT) |
Bioorg Med Chem Lett 14: 4217-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.009 BindingDB Entry DOI: 10.7270/Q2R49Q6M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50100949
((7-Bromo-1,2,3,4-tetrahydro-isoquinolin-3-yl)-meth...)Show InChI InChI=1S/C10H12BrNO/c11-9-2-1-7-4-10(6-13)12-5-8(7)3-9/h1-3,10,12-13H,4-6H2 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description Binding affinity against Human phenylethanolamine N-methyltransferase |
Bioorg Med Chem Lett 15: 1143-7 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.013 BindingDB Entry DOI: 10.7270/Q2X63MFG |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50077544
((S)-3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoli...)Show InChI InChI=1S/C10H12N2O2/c1-7-4-8-2-3-10(12(13)14)5-9(8)6-11-7/h2-3,5,7,11H,4,6H2,1H3/t7-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of human 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 | 3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50174121
(7-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline | ...)Show InChI InChI=1S/C10H12BrN/c1-7-4-8-2-3-10(11)5-9(8)6-12-7/h2-3,5,7,12H,4,6H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of human 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
(Homo sapiens (Human)) | BDBM50077537
((+)-(7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)me...)Show InChI InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2 | PDB MMDB
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| PDB Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description Inhibition of wild type human PNMT |
J Med Chem 50: 4845-53 (2007)
Article DOI: 10.1021/jm0703385 BindingDB Entry DOI: 10.7270/Q2ZC82KK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50174121
(7-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline | ...)Show InChI InChI=1S/C10H12BrN/c1-7-4-8-2-3-10(11)5-9(8)6-12-7/h2-3,5,7,12H,4,6H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description Inhibitory activity against human PNMT |
Bioorg Med Chem Lett 15: 5319-23 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.033 BindingDB Entry DOI: 10.7270/Q20V8CB9 |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50554685
(CHEMBL4749263)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01475 BindingDB Entry DOI: 10.7270/Q2MK6HJQ |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50029108
(6,7,8-Trichloro-1,2,3,4-tetrahydro-isoquinoline | ...)Show InChI InChI=1S/C9H8Cl3N/c10-7-3-5-1-2-13-4-6(5)8(11)9(7)12/h3,13H,1-2,4H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase |
J Med Chem 23: 506-11 (1980)
BindingDB Entry DOI: 10.7270/Q2F47N5S |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13027
(3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4...)Show InChI InChI=1S/C12H15F3N2O3S/c13-12(14,15)7-17-21(19,20)11-2-1-8-3-10(6-18)16-5-9(8)4-11/h1-2,4,10,16-18H,3,5-7H2 | PDB MMDB
Reactome pathway KEGG
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Similars
| Article PubMed
| 23 | -10.8 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
University of Kansas
| Assay Description Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a... |
J Med Chem 49: 5424-33 (2006)
Article DOI: 10.1021/jm060466d BindingDB Entry DOI: 10.7270/Q2DB802Q |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13027
(3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4...)Show InChI InChI=1S/C12H15F3N2O3S/c13-12(14,15)7-17-21(19,20)11-2-1-8-3-10(6-18)16-5-9(8)4-11/h1-2,4,10,16-18H,3,5-7H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description In vitro binding affinity against human phenylethanolamine N-Methyltransferase |
J Med Chem 48: 134-40 (2005)
Article DOI: 10.1021/jm049368n BindingDB Entry DOI: 10.7270/Q2513XQ7 |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50240934
(3-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,...)Show InChI InChI=1S/C13H17F3N2O3S/c14-13(15,16)3-4-18-22(20,21)12-2-1-9-5-11(8-19)17-7-10(9)6-12/h1-2,6,11,17-19H,3-5,7-8H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description In vitro binding affinity against human phenylethanolamine N-Methyltransferase |
J Med Chem 48: 134-40 (2005)
Article DOI: 10.1021/jm049368n BindingDB Entry DOI: 10.7270/Q2513XQ7 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50029102
(7-Chloro-1,2,3,4-tetrahydro-isoquinoline | CHEMBL1...)Show InChI InChI=1S/C9H10ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Dissociation constant(Ki) of compound was determined to measure PNMT-inhibitory potency |
J Med Chem 23: 506-11 (1980)
BindingDB Entry DOI: 10.7270/Q2F47N5S |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50029107
(8-Chloro-1,2,3,4-tetrahydro-isoquinoline | CHEMBL1...)Show InChI InChI=1S/C9H10ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase |
J Med Chem 23: 506-11 (1980)
BindingDB Entry DOI: 10.7270/Q2F47N5S |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13028
(3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4...)Show InChI InChI=1S/C13H16F4N2O2S/c14-7-11-5-9-1-2-12(6-10(9)8-18-11)22(20,21)19-4-3-13(15,16)17/h1-2,6,11,18-19H,3-5,7-8H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description Inhibition of wild type human PNMT |
J Med Chem 50: 4845-53 (2007)
Article DOI: 10.1021/jm0703385 BindingDB Entry DOI: 10.7270/Q2ZC82KK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50554694
(CHEMBL4740168)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01475 BindingDB Entry DOI: 10.7270/Q2MK6HJQ |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13025
(7-sulfonamide-THIQ 15 | CHEMBL176112 | N-(4-chloro...)Show InChI InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| PDB Article PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description Inhibition of wild type human PNMT |
J Med Chem 50: 4845-53 (2007)
Article DOI: 10.1021/jm0703385 BindingDB Entry DOI: 10.7270/Q2ZC82KK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50276413
(7-isothiocyanatotetrahydroisoquinoline | CHEMBL459...)Show InChI InChI=1S/C10H10N2S/c13-7-12-10-2-1-8-3-4-11-6-9(8)5-10/h1-2,5,11H,3-4,6H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Displacement of phenylethanolamine from human PNMT by competitive inhibition assay |
Bioorg Med Chem Lett 19: 1071-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.014 BindingDB Entry DOI: 10.7270/Q2ZS2WCP |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM14060
(7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...)Show InChI InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to human wild type his-tagged PNMT |
J Med Chem 48: 7243-52 (2005)
Article DOI: 10.1021/jm050568o BindingDB Entry DOI: 10.7270/Q2QC049M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13024
(7-sulfonamide-THIQ 14 | CHEMBL290890 | N-(4-chloro...)Show InChI InChI=1S/C16H16ClFN2O2S/c17-13-2-4-14(5-3-13)20-23(21,22)16-6-1-11-7-15(9-18)19-10-12(11)8-16/h1-6,8,15,19-20H,7,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description Inhibition of wild type human PNMT |
J Med Chem 50: 4845-53 (2007)
Article DOI: 10.1021/jm0703385 BindingDB Entry DOI: 10.7270/Q2ZC82KK |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50554681
(CHEMBL4795252)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)C2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01475 BindingDB Entry DOI: 10.7270/Q2MK6HJQ |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50077537
((+)-(7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)me...)Show InChI InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description Binding affinity against Human phenylethanolamine N-methyltransferase |
Bioorg Med Chem Lett 15: 1143-7 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.013 BindingDB Entry DOI: 10.7270/Q2X63MFG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50276413
(7-isothiocyanatotetrahydroisoquinoline | CHEMBL459...)Show InChI InChI=1S/C10H10N2S/c13-7-12-10-2-1-8-3-4-11-6-9(8)5-10/h1-2,5,11H,3-4,6H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to wild type human PNMT by liquid scintillation spectrometry in presence of [3H]AdoMet |
Bioorg Med Chem Lett 19: 1071-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.014 BindingDB Entry DOI: 10.7270/Q2ZS2WCP |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50029101
(5,6,7,8-Tetrachloro-1,2,3,4-tetrahydro-isoquinolin...)Show InChI InChI=1S/C9H7Cl4N/c10-6-4-1-2-14-3-5(4)7(11)9(13)8(6)12/h14H,1-3H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Dissociation constant(Ki) of compound was determined to measure Phenylethanolamine N-methyltransferase inhibitory potency |
J Med Chem 23: 506-11 (1980)
BindingDB Entry DOI: 10.7270/Q2F47N5S |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13023
(3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7...)Show InChI InChI=1S/C10H14N2O3S/c11-16(14,15)10-2-1-7-3-9(6-13)12-5-8(7)4-10/h1-2,4,9,12-13H,3,5-6H2,(H2,11,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description Inhibitory activity against human PNMT |
Bioorg Med Chem Lett 15: 5319-23 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.033 BindingDB Entry DOI: 10.7270/Q20V8CB9 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13023
(3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7...)Show InChI InChI=1S/C10H14N2O3S/c11-16(14,15)10-2-1-7-3-9(6-13)12-5-8(7)4-10/h1-2,4,9,12-13H,3,5-6H2,(H2,11,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 52 | -10.3 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
University of Kansas
| Assay Description Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a... |
J Med Chem 49: 5424-33 (2006)
Article DOI: 10.1021/jm060466d BindingDB Entry DOI: 10.7270/Q2DB802Q |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13023
(3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7...)Show InChI InChI=1S/C10H14N2O3S/c11-16(14,15)10-2-1-7-3-9(6-13)12-5-8(7)4-10/h1-2,4,9,12-13H,3,5-6H2,(H2,11,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description In vitro binding affinity against human phenylethanolamine N-Methyltransferase |
J Med Chem 48: 134-40 (2005)
Article DOI: 10.1021/jm049368n BindingDB Entry DOI: 10.7270/Q2513XQ7 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50072977
(7-Bromo-1,2,3,4-tetrahydro-isoquinoline | 7-bromo-...)Show InChI InChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description Binding affinity to human PNMT |
Bioorg Med Chem 15: 1298-310 (2007)
Article DOI: 10.1016/j.bmc.2006.11.010 BindingDB Entry DOI: 10.7270/Q2HD7V9F |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50554684
(CHEMBL4796664)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01475 BindingDB Entry DOI: 10.7270/Q2MK6HJQ |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50029099
(5,7,8-Trichloro-1,2,3,4-tetrahydro-isoquinoline | ...)Show InChI InChI=1S/C9H8Cl3N/c10-7-3-8(11)9(12)6-4-13-2-1-5(6)7/h3,13H,1-2,4H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Dissociation constant(Ki) of compound was determined to measure PNMT-inhibitory potency |
J Med Chem 23: 506-11 (1980)
BindingDB Entry DOI: 10.7270/Q2F47N5S |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50163104
((R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline...)Show InChI InChI=1S/C12H14F4N2O2S/c13-5-10-3-8-1-2-11(4-9(8)6-17-10)21(19,20)18-7-12(14,15)16/h1-2,4,10,17-18H,3,5-7H2/t10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description In vitro binding affinity against recombinant human Phenylethanolamine N-methyltransferase expressed in E. coli using [methyl-3H]-AdoMet |
J Med Chem 48: 1806-12 (2005)
Article DOI: 10.1021/jm049594x BindingDB Entry DOI: 10.7270/Q2TX3DW4 |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13025
(7-sulfonamide-THIQ 15 | CHEMBL176112 | N-(4-chloro...)Show InChI InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description In vitro binding affinity against human phenylethanolamine N-Methyltransferase |
J Med Chem 48: 134-40 (2005)
Article DOI: 10.1021/jm049368n BindingDB Entry DOI: 10.7270/Q2513XQ7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13025
(7-sulfonamide-THIQ 15 | CHEMBL176112 | N-(4-chloro...)Show InChI InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 63 | -10.2 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
University of Kansas
| Assay Description Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a... |
J Med Chem 49: 5424-33 (2006)
Article DOI: 10.1021/jm060466d BindingDB Entry DOI: 10.7270/Q2DB802Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50186678
((+/-)-3-difluoromethyl-7-trifluoromethyl-1,2,3,4-t...)Show InChI InChI=1S/C11H10F5N/c12-10(13)9-4-6-1-2-8(11(14,15)16)3-7(6)5-17-9/h1-3,9-10,17H,4-5H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description Binding affinity to human PNMT |
J Med Chem 49: 2939-52 (2006)
Article DOI: 10.1021/jm051262k BindingDB Entry DOI: 10.7270/Q2K64HQ3 |
More data for this Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50554682
(CHEMBL4789060)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)C2Cc3ccc(cc3CN2)[N+]([O-])=O)[C@@H](O)[C@H]1O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01475 BindingDB Entry DOI: 10.7270/Q2MK6HJQ |
More data for this Ligand-Target Pair | |