BDBM50467880 CHEMBL4283139

SMILES: COc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCN(C)CC2)cc1

InChI Key: InChIKey=VUUAQQRMLQXWNQ-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 = 50467880   

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 (Anopheles gambiae)	BDBM50467880 (CHEMBL4283139) Show SMILES COc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCN(C)CC2)cc1 Show InChI InChI=1S/C23H31N3O3/c1-25-14-16-26(17-15-25)13-3-12-24-23(27)18-29-22-10-6-20(7-11-22)19-4-8-21(28-2)9-5-19/h4-11H,3,12-18H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+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 (Homo sapiens (Human))	BDBM50467880 (CHEMBL4283139) Show SMILES COc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCN(C)CC2)cc1 Show InChI InChI=1S/C23H31N3O3/c1-25-14-16-26(17-15-25)13-3-12-24-23(27)18-29-22-10-6-20(7-11-22)19-4-8-21(28-2)9-5-19/h4-11H,3,12-18H2,1-2H3,(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	1.90E+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)	BDBM50467880 (CHEMBL4283139) Show SMILES COc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCN(C)CC2)cc1 Show InChI InChI=1S/C23H31N3O3/c1-25-14-16-26(17-15-25)13-3-12-24-23(27)18-29-22-10-6-20(7-11-22)19-4-8-21(28-2)9-5-19/h4-11H,3,12-18H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+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
Acetylcholinesterase (Aedes aegypti)	BDBM50467880 (CHEMBL4283139) Show SMILES COc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCN(C)CC2)cc1 Show InChI InChI=1S/C23H31N3O3/c1-25-14-16-26(17-15-25)13-3-12-24-23(27)18-29-22-10-6-20(7-11-22)19-4-8-21(28-2)9-5-19/h4-11H,3,12-18H2,1-2H3,(H,24,27)	PDB UniProtKB/TrEMBL 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 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