Found 5 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)) | 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
| 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
(282/282 = 100%)† (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
(282/282 = 100%)† (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 | -42.8 | 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 | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(237/279 = 85%)† (Bos taurus (bovine)) | BDBM50009672
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition constant was evaluated against PNMT |
J Med Chem 28: 478-82 (1985)
BindingDB Entry DOI: 10.7270/Q2WM1DZS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(237/279 = 85%)† (Bos taurus (bovine)) | BDBM50009672
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition constant was evaluated against PNMT |
J Med Chem 28: 478-82 (1985)
BindingDB Entry DOI: 10.7270/Q2WM1DZS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |