Found 5 hits of ki for UniProtKB: P50135 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 |
Histamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50041457
(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)Show InChI InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23) | PDB MMDB
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UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University
Curated by ChEMBL
| Assay Description Inhibition of histamine N-methyltransferase by radiochemical assay |
Bioorg Med Chem Lett 22: 4990-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.032 BindingDB Entry DOI: 10.7270/Q29G5NWN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50026331
(2-Amino-4-[4-(6-amino-purin-9-yl)-2,3-dihydroxy-cy...)Show SMILES NC(CCSCC1CC(C(O)C1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C15H22N6O4S/c16-8(15(24)25)1-2-26-4-7-3-9(12(23)11(7)22)21-6-20-10-13(17)18-5-19-14(10)21/h5-9,11-12,22-23H,1-4,16H2,(H,24,25)(H2,17,18,19) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 1.04E+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 Histamine N-methyl-transferase |
J Med Chem 28: 478-82 (1985)
BindingDB Entry DOI: 10.7270/Q2WM1DZS |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Histamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50026331
(2-Amino-4-[4-(6-amino-purin-9-yl)-2,3-dihydroxy-cy...)Show SMILES NC(CCSCC1CC(C(O)C1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C15H22N6O4S/c16-8(15(24)25)1-2-26-4-7-3-9(12(23)11(7)22)21-6-20-10-13(17)18-5-19-14(10)21/h5-9,11-12,22-23H,1-4,16H2,(H,24,25)(H2,17,18,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 1.04E+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 Histamine N-methyl-transferase |
J Med Chem 28: 478-82 (1985)
BindingDB Entry DOI: 10.7270/Q2WM1DZS |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Histamine N-methyltransferase
(Homo sapiens (Human)) | 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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 1.81E+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 Histamine N-methyl-transferase |
J Med Chem 28: 478-82 (1985)
BindingDB Entry DOI: 10.7270/Q2WM1DZS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histamine N-methyltransferase
(Homo sapiens (Human)) | 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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 1.81E+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 Histamine N-methyl-transferase |
J Med Chem 28: 478-82 (1985)
BindingDB Entry DOI: 10.7270/Q2WM1DZS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |