Found 9 hits Enz. Inhib. hit(s) with all data for entry = 5703 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)) | BDBM50219206
(Anthracen-9-yl (10H-phenothiazine-10yl) methanone,...)Show SMILES O=C(N1c2ccccc2Sc2ccccc12)c1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C27H17NOS/c29-27(26-20-11-3-1-9-18(20)17-19-10-2-4-12-21(19)26)28-22-13-5-7-15-24(22)30-25-16-8-6-14-23(25)28/h1-17H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalhousie University
| Assay Description Inhibition constant using AChE or BuChE. |
Biochemistry 51: 7046-53 (2012)
Article DOI: 10.1021/bi300955k BindingDB Entry DOI: 10.7270/Q2J101R6 |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50308418
(CHEMBL605824 | N-[2-(N',N'-diisopropylamin...)Show InChI InChI=1S/C21H27N3OS/c1-15(2)23(16(3)4)14-13-22-21(25)24-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)24/h5-12,15-16H,13-14H2,1-4H3,(H,22,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalhousie University
| Assay Description Inhibition constant using AChE or BuChE. |
Biochemistry 51: 7046-53 (2012)
Article DOI: 10.1021/bi300955k BindingDB Entry DOI: 10.7270/Q2J101R6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM120262
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalhousie University
| Assay Description Inhibition constant using AChE or BuChE. |
Biochemistry 51: 7046-53 (2012)
Article DOI: 10.1021/bi300955k BindingDB Entry DOI: 10.7270/Q2J101R6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308418
(CHEMBL605824 | N-[2-(N',N'-diisopropylamin...)Show InChI InChI=1S/C21H27N3OS/c1-15(2)23(16(3)4)14-13-22-21(25)24-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)24/h5-12,15-16H,13-14H2,1-4H3,(H,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalhousie University
| Assay Description Inhibition constant using AChE or BuChE. |
Biochemistry 51: 7046-53 (2012)
Article DOI: 10.1021/bi300955k BindingDB Entry DOI: 10.7270/Q2J101R6 |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM31904
(CHEMBL345124 | Propidium | Propidium Iodide, 2 | p...)Show SMILES CC[N+](C)(CC)CCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalhousie University
| Assay Description Inhibition constant using AChE or BuChE. |
Biochemistry 51: 7046-53 (2012)
Article DOI: 10.1021/bi300955k BindingDB Entry DOI: 10.7270/Q2J101R6 |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50100134
(2-(4-Dimethylamino-phenyl)-3,6-dimethyl-benzothiaz...)Show InChI InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 3.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalhousie University
| Assay Description Inhibition constant using AChE or BuChE. |
Biochemistry 51: 7046-53 (2012)
Article DOI: 10.1021/bi300955k BindingDB Entry DOI: 10.7270/Q2J101R6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50100134
(2-(4-Dimethylamino-phenyl)-3,6-dimethyl-benzothiaz...)Show InChI InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 4.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalhousie University
| Assay Description Inhibition constant using AChE or BuChE. |
Biochemistry 51: 7046-53 (2012)
Article DOI: 10.1021/bi300955k BindingDB Entry DOI: 10.7270/Q2J101R6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM31904
(CHEMBL345124 | Propidium | Propidium Iodide, 2 | p...)Show SMILES CC[N+](C)(CC)CCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 9.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalhousie University
| Assay Description Inhibition constant using AChE or BuChE. |
Biochemistry 51: 7046-53 (2012)
Article DOI: 10.1021/bi300955k BindingDB Entry DOI: 10.7270/Q2J101R6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM120262
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| 1.98E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalhousie University
| Assay Description Inhibition constant using AChE or BuChE. |
Biochemistry 51: 7046-53 (2012)
Article DOI: 10.1021/bi300955k BindingDB Entry DOI: 10.7270/Q2J101R6 |
More data for this Ligand-Target Pair | |