Found 8 hits Enzyme Inhibition Constant Data 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
(282/282 = 100%)† (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
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| 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
(282/282 = 100%)† (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
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| 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
(237/279 = 85%)† (Bos taurus (bovine)) | BDBM50077541
(((R)-7-Nitro-1,2,3,4-tetrahydro-isoquinolin-3-yl)-...)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/t9-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 240 | 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 bovine adrenal Phenylethanolamine N-Methyltransferase |
J Med Chem 42: 1982-90 (1999)
Article DOI: 10.1021/jm9807252 BindingDB Entry DOI: 10.7270/Q2959GR6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(237/279 = 85%)† (Bos taurus (bovine)) | BDBM50077541
(((R)-7-Nitro-1,2,3,4-tetrahydro-isoquinolin-3-yl)-...)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/t9-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| 240 | 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 inhibition of PNMT (Phenylethanolamine N-Methyltransferase). |
J Med Chem 42: 4351-61 (1999)
BindingDB Entry DOI: 10.7270/Q2X0667W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(237/279 = 85%)† (Bos taurus (bovine)) | 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
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description Ability to inhibit phenylethanolamine N-methyltransferase (PNMT) |
J Med Chem 44: 2849-56 (2001)
BindingDB Entry DOI: 10.7270/Q2N58KNT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(237/279 = 85%)† (Bos taurus (bovine)) | 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
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 290 | 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 bovine adrenal Phenylethanolamine N-Methyltransferase |
J Med Chem 42: 1982-90 (1999)
Article DOI: 10.1021/jm9807252 BindingDB Entry DOI: 10.7270/Q2959GR6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(237/279 = 85%)† (Bos taurus (bovine)) | BDBM50077541
(((R)-7-Nitro-1,2,3,4-tetrahydro-isoquinolin-3-yl)-...)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/t9-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| 1.33E+3 | 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 bovine adrenal phenylethanolamine N-methyl-transferase (PNMT) |
Bioorg Med Chem Lett 9: 481-6 (1999)
BindingDB Entry DOI: 10.7270/Q26Q20F9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(282/282 = 100%)† (Homo sapiens (Human)) | BDBM28422
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Activity of human wild type PNMT assessed as phenylethanolamine methylation |
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) |