BDBM50038740 CHEMBL61274::Hexyl-carbamic acid 9-methyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester

SMILES: CCCCCCNC(=O)Oc1ccc2C3CC(CCN3C)c2c1

InChI Key: InChIKey=KFWGKECULQNZER-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50038740   

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 (Mus musculus (mouse))	BDBM50038740 (CHEMBL61274 | Hexyl-carbamic acid 9-methyl-9-aza-t...) Show SMILES CCCCCCNC(=O)Oc1ccc2C3CC(CCN3C)c2c1 Show InChI InChI=1S/C19H28N2O2/c1-3-4-5-6-10-20-19(22)23-15-7-8-16-17(13-15)14-9-11-21(2)18(16)12-14/h7-8,13-14,18H,3-6,9-12H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholinesterase in mice at the dose of 5.0 mg/kg via peroral administration				J Med Chem 37: 1996-2000 (1994) BindingDB Entry DOI: 10.7270/Q2BZ654H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50038740 (CHEMBL61274 | Hexyl-carbamic acid 9-methyl-9-aza-t...) Show SMILES CCCCCCNC(=O)Oc1ccc2C3CC(CCN3C)c2c1 Show InChI InChI=1S/C19H28N2O2/c1-3-4-5-6-10-20-19(22)23-15-7-8-16-17(13-15)14-9-11-21(2)18(16)12-14/h7-8,13-14,18H,3-6,9-12H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholinesterase in mice at the dose of 1.2 mg/kg via intraperitoneal administration				J Med Chem 37: 1996-2000 (1994) BindingDB Entry DOI: 10.7270/Q2BZ654H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50038740 (CHEMBL61274 | Hexyl-carbamic acid 9-methyl-9-aza-t...) Show SMILES CCCCCCNC(=O)Oc1ccc2C3CC(CCN3C)c2c1 Show InChI InChI=1S/C19H28N2O2/c1-3-4-5-6-10-20-19(22)23-15-7-8-16-17(13-15)14-9-11-21(2)18(16)12-14/h7-8,13-14,18H,3-6,9-12H2,1-2H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human acetylcholinesterase				J Med Chem 37: 1996-2000 (1994) BindingDB Entry DOI: 10.7270/Q2BZ654H
					More data for this Ligand-Target Pair