Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50004739 Target/Host (Institution) | Ligand | Target/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 | 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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB PubMed
| 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)) | 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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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)) | 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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
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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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
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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)) | 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)) | 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)) | 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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB PubMed
| n/a | n/a | 10 | 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)) | 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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 100 | 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)) | 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
| n/a | n/a | 200 | 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)) | 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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 200 | 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)) | 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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 200 | 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)) | 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
| n/a | n/a | 300 | 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)) | BDBM50029106
(2,3-Dichloro-benzylamine | CHEMBL13165)Show InChI InChI=1S/C7H7Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Invitro 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 | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM12584
((3-chlorophenyl)methanamine | 1-(3-CHLOROPHENYL)ME...)Show InChI InChI=1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Invitro 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 | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50029105
(2-(3,4,-dichlorophenyl)ethylamine | 2-(3,4-Dichlor...)Show InChI InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.00E+4 | 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 | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50029104
(2-Chloro-benzylamine | CHEMBL12712)Show InChI InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
| PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Invitro 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 | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50029103
(2-(3-Chloro-phenyl)-1-methyl-ethylamine | CHEMBL14...)Show InChI InChI=1S/C9H12ClN/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5,11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6.00E+4 | 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 | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50029100
(2-(4-Chloro-phenyl)-1-methyl-ethylamine | CHEMBL35...)Show InChI InChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Invitro 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 | |