BDBM50467887 CHEMBL4291845

SMILES: CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=PPANJQUMADIAMO-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 = 50467887   

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)	BDBM50467887 (CHEMBL4291845) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C25H32N4O4/c1-2-26-15-17-27(18-16-26)22-11-13-28(14-12-22)25(30)19-33-24-9-5-21(6-10-24)20-3-7-23(8-4-20)29(31)32/h3-10,22H,2,11-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	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))	BDBM50467887 (CHEMBL4291845) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C25H32N4O4/c1-2-26-15-17-27(18-16-26)22-11-13-28(14-12-22)25(30)19-33-24-9-5-21(6-10-24)20-3-7-23(8-4-20)29(31)32/h3-10,22H,2,11-19H2,1H3	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	2.10E+3	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)	BDBM50467887 (CHEMBL4291845) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C25H32N4O4/c1-2-26-15-17-27(18-16-26)22-11-13-28(14-12-22)25(30)19-33-24-9-5-21(6-10-24)20-3-7-23(8-4-20)29(31)32/h3-10,22H,2,11-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	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)	BDBM50467887 (CHEMBL4291845) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C25H32N4O4/c1-2-26-15-17-27(18-16-26)22-11-13-28(14-12-22)25(30)19-33-24-9-5-21(6-10-24)20-3-7-23(8-4-20)29(31)32/h3-10,22H,2,11-19H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	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