BDBM50467873 CHEMBL4285972

SMILES: CN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=MOQQZFPQHVEHKY-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50467873   

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))	BDBM50467873 (CHEMBL4285972) Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H31N3O2/c1-25-15-17-26(18-16-25)22-11-13-27(14-12-22)24(28)19-29-23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-10,22H,11-19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid 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 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
Acetylcholinesterase (Anopheles gambiae)	BDBM50467873 (CHEMBL4285972) Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H31N3O2/c1-25-15-17-26(18-16-25)22-11-13-27(14-12-22)24(28)19-29-23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-10,22H,11-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	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)	BDBM50467873 (CHEMBL4285972) Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H31N3O2/c1-25-15-17-26(18-16-25)22-11-13-27(14-12-22)24(28)19-29-23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-10,22H,11-19H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	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 (Anopheles gambiae)	BDBM50467873 (CHEMBL4285972) Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H31N3O2/c1-25-15-17-26(18-16-25)22-11-13-27(14-12-22)24(28)19-29-23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-10,22H,11-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	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