BDBM50289101 3-Chloro-12-thioxo-6,7,8,9,10,12-hexahydro-azepino[2,1-b]quinazolin-5-ium::3-Chloro-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-12-thione::CHEMBL350496

SMILES: Clc1ccc2c(c1)nc1CCCCCn1c2=S

InChI Key: InChIKey=HZJMNKSWEHKWFT-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 = 50289101   

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))	BDBM50289101 (3-Chloro-12-thioxo-6,7,8,9,10,12-hexahydro-azepino...) Show SMILES Clc1ccc2c(c1)nc1CCCCCn1c2=S Show InChI InChI=1S/C13H13ClN2S/c14-9-5-6-10-11(8-9)15-12-4-2-1-3-7-16(12)13(10)17/h5-6,8H,1-4,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	>1.00E+5	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))	BDBM50289101 (3-Chloro-12-thioxo-6,7,8,9,10,12-hexahydro-azepino...) Show SMILES Clc1ccc2c(c1)nc1CCCCCn1c2=S Show InChI InChI=1S/C13H13ClN2S/c14-9-5-6-10-11(8-9)15-12-4-2-1-3-7-16(12)13(10)17/h5-6,8H,1-4,7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	>1.00E+5	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