BDBM50289094 3-Chloro-6,7,8,9,10,12-hexahydro-azepino[2,1-b]quinazoline::CHEMBL445130

SMILES: Clc1ccc2CN3CCCCCC3=Nc2c1

InChI Key: InChIKey=JHFVYQMIQHRAQS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50289094   

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 (Homo sapiens (Human))	BDBM50289094 (3-Chloro-6,7,8,9,10,12-hexahydro-azepino[2,1-b]qui...) Show SMILES Clc1ccc2CN3CCCCCC3=Nc2c1 |c:13| Show InChI InChI=1S/C13H15ClN2/c14-11-6-5-10-9-16-7-3-1-2-4-13(16)15-12(10)8-11/h5-6,8H,1-4,7,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholinesterase in human RBC				Bioorg Med Chem Lett 6: 737-742 (1996) Article DOI: 10.1016/0960-894X(96)00102-3 BindingDB Entry DOI: 10.7270/Q2736RDK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50289094 (3-Chloro-6,7,8,9,10,12-hexahydro-azepino[2,1-b]qui...) Show SMILES Clc1ccc2CN3CCCCCC3=Nc2c1 |c:13| Show InChI InChI=1S/C13H15ClN2/c14-11-6-5-10-9-16-7-3-1-2-4-13(16)15-12(10)8-11/h5-6,8H,1-4,7,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholinesterase in rat brain				Bioorg Med Chem Lett 6: 737-742 (1996) Article DOI: 10.1016/0960-894X(96)00102-3 BindingDB Entry DOI: 10.7270/Q2736RDK
					More data for this Ligand-Target Pair