BDBM50467872 CHEMBL4277357
SMILES: O=C(COc1ccc(cc1)-c1ccccc1)NCCCN1CCCCC1
InChI Key: InChIKey=IYYRFRHVGUOBGU-UHFFFAOYSA-N
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 |
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Acetylcholinesterase (Anopheles gambiae) | BDBM50467872![]() (CHEMBL4277357) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Umea University Curated by ChEMBL | Assay Description Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ... | J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Aedes aegypti) | BDBM50467872![]() (CHEMBL4277357) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Umea University Curated by ChEMBL | Assay Description Inhibition of recombinant Aedes aegypti AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellm... | J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50467872![]() (CHEMBL4277357) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 5.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Umea University Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay | J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (Anopheles gambiae) | BDBM50467872![]() (CHEMBL4277357) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Umea University Curated by ChEMBL | Assay Description Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove... | J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN | |||||||||||
More data for this Ligand-Target Pair |