BDBM50467884 CHEMBL4295165

SMILES: CCN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccccc2)CC1

InChI Key: InChIKey=ROYSJTCXIAEDDB-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 = 50467884   

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 (Aedes aegypti)	BDBM50467884 (CHEMBL4295165) Show SMILES CCN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H31N3O2/c1-2-25-15-17-26(18-16-25)14-6-13-24-23(27)19-28-22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-19H2,1H3,(H,24,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+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))	BDBM50467884 (CHEMBL4295165) Show SMILES CCN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H31N3O2/c1-2-25-15-17-26(18-16-25)14-6-13-24-23(27)19-28-22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-19H2,1H3,(H,24,27)	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	1.13E+5	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)	BDBM50467884 (CHEMBL4295165) Show SMILES CCN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H31N3O2/c1-2-25-15-17-26(18-16-25)14-6-13-24-23(27)19-28-22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-19H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+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
Acetylcholinesterase (Anopheles gambiae)	BDBM50467884 (CHEMBL4295165) Show SMILES CCN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H31N3O2/c1-2-25-15-17-26(18-16-25)14-6-13-24-23(27)19-28-22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-19H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	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