BDBM50467885 CHEMBL4290992

SMILES: COc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCCCC2)cc1

InChI Key: InChIKey=ZRDFCDGVKGMYOD-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 = 50467885   

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)	BDBM50467885 (CHEMBL4290992) Show SMILES COc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H30N2O3/c1-27-21-10-6-19(7-11-21)20-8-12-22(13-9-20)28-18-23(26)24-14-5-17-25-15-3-2-4-16-25/h6-13H,2-5,14-18H2,1H3,(H,24,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+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 (Anopheles gambiae)	BDBM50467885 (CHEMBL4290992) Show SMILES COc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H30N2O3/c1-27-21-10-6-19(7-11-21)20-8-12-22(13-9-20)28-18-23(26)24-14-5-17-25-15-3-2-4-16-25/h6-13H,2-5,14-18H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+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 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)	BDBM50467885 (CHEMBL4290992) Show SMILES COc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H30N2O3/c1-27-21-10-6-19(7-11-21)20-8-12-22(13-9-20)28-18-23(26)24-14-5-17-25-15-3-2-4-16-25/h6-13H,2-5,14-18H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50467885 (CHEMBL4290992) Show SMILES COc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H30N2O3/c1-27-21-10-6-19(7-11-21)20-8-12-22(13-9-20)28-18-23(26)24-14-5-17-25-15-3-2-4-16-25/h6-13H,2-5,14-18H2,1H3,(H,24,26)	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	1.40E+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