Found 9 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM8958' 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 |
Cholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank PDB Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena
Curated by ChEMBL
| Assay Description Inhibitory activity against Equine Butyrylcholinesterase |
J Med Chem 46: 1-4 (2002)
Article DOI: 10.1021/jm0255668 BindingDB Entry DOI: 10.7270/Q2GF0V7X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00944 BindingDB Entry DOI: 10.7270/Q2HX1HP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article PubMed
| 1.21E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot |
Bioorg Med Chem Lett 21: 150-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description Inhibition of BChE (unknown origin) incubated for 10 mins by Ellman's method |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126754 BindingDB Entry DOI: 10.7270/Q2K93C0P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of recombinant human BChE by Ellman method |
J Med Chem 57: 8167-79 (2014)
Article DOI: 10.1021/jm501195e BindingDB Entry DOI: 10.7270/Q22V2HQ7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Equus caballus (Horse)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Genova
Curated by ChEMBL
| Assay Description Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay |
Eur J Med Chem 46: 2170-84 (2011)
Article DOI: 10.1016/j.ejmech.2011.02.071 BindingDB Entry DOI: 10.7270/Q2BK1CPG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Inhibition of human plasmatic BChE by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 811-8 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Inhibition of human recombinant BChE |
Bioorg Med Chem Lett 21: 150-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human plasmatic BChE by modified Ellman's method |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |