BDBM50289103 4-Chloro-6,7,8,9,10,12-hexahydro-azepino[2,1-b]quinazoline::CHEMBL349977

SMILES: Clc1cccc2CN3CCCCCC3=Nc12

InChI Key: InChIKey=IPSRZRXARJYFKS-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 = 50289103   

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 (Rattus norvegicus (rat))	BDBM50289103 (4-Chloro-6,7,8,9,10,12-hexahydro-azepino[2,1-b]qui...) Show SMILES Clc1cccc2CN3CCCCCC3=Nc12 |c:14| Show InChI InChI=1S/C13H15ClN2/c14-11-6-4-5-10-9-16-8-3-1-2-7-12(16)15-13(10)11/h4-6H,1-3,7-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.64E+4	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50289103 (4-Chloro-6,7,8,9,10,12-hexahydro-azepino[2,1-b]qui...) Show SMILES Clc1cccc2CN3CCCCCC3=Nc12 |c:14| Show InChI InChI=1S/C13H15ClN2/c14-11-6-4-5-10-9-16-8-3-1-2-7-12(16)15-13(10)11/h4-6H,1-3,7-9H2	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	1.50E+3	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