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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50138463 (CHEMBL3753957) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50138287 (CHEMBL3753706) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 308 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50138427 (CHEMBL3754480) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 323 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50138430 (CHEMBL3754146) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 416 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 424 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50138286 (CHEMBL3752451) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 424 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50138429 (CHEMBL3752926) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human BACE-1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition measured after 15 mins by FRET ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50138285 (CHEMBL3752555) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 545 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50138282 (CHEMBL3753360) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human BACE-1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition measured after 15 mins by FRET ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50138428 (CHEMBL3754739) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 993 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50138464 (CHEMBL3754778) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50138279 (CHEMBL3752467) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human BACE-1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition measured after 15 mins by FRET ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50138325 (CHEMBL3753508) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50138450 (CHEMBL3754341) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50138462 (CHEMBL3754694) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human BACE-1 using fluorogenic substrate incubated for 30 mins by FRET assay | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amyloid-beta precursor protein (Homo sapiens (Human)) | BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of Amyloid beta (1 to 42) (unknown origin) self-induced aggregation incubated for 24 hrs by Thioflavin T-based fluorometric assay | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50138465 (CHEMBL3752684) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of BACE-1 (unknown origin) using M-2420 as substrate preincubated for 1 hr followed by substrate addition measured after 15 mins by FRET a... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50138279 (CHEMBL3752467) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.0310 | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Noncompetitive inhibition of Torpedo californica AChE using ATCh as substrate assessed as dissociation rate constant preincubated for 90 mins followe... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50138279 (CHEMBL3752467) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.0320 | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Competitive inhibition of Torpedo californica AChE using ATCh as substrate assessed as dissociation rate constant preincubated for 90 mins followed b... | J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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