BDBM50094630 5,7-dichloro-15-ethyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine::CHEMBL357207

SMILES: CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)cc(Cl)c2c1N

InChI Key: InChIKey=RSDNICWRHUAZOZ-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 = 50094630   

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))	BDBM50094630 (5,7-dichloro-15-ethyl-10-azatetracyclo[11.3.1.02,1...) Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)cc(Cl)c2c1N |t:2,TLB:20:8:2.3.7:5| Show InChI InChI=1S/C18H18Cl2N2/c1-2-9-3-10-5-11(4-9)16-14(6-10)22-15-8-12(19)7-13(20)17(15)18(16)21/h3,7-8,10-11H,2,4-6H2,1H3,(H2,21,22)	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	1.39	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase isolated from Human erythrocytes.				J Med Chem 43: 4657-66 (2001) BindingDB Entry DOI: 10.7270/Q2Q52Q9B
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50094630 (5,7-dichloro-15-ethyl-10-azatetracyclo[11.3.1.02,1...) Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)cc(Cl)c2c1N |t:2,TLB:20:8:2.3.7:5| Show InChI InChI=1S/C18H18Cl2N2/c1-2-9-3-10-5-11(4-9)16-14(6-10)22-15-8-12(19)7-13(20)17(15)18(16)21/h3,7-8,10-11H,2,4-6H2,1H3,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	39.6	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase of bovine erythrocytes				J Med Chem 43: 4657-66 (2001) BindingDB Entry DOI: 10.7270/Q2Q52Q9B
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50094630 (5,7-dichloro-15-ethyl-10-azatetracyclo[11.3.1.02,1...) Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)cc(Cl)c2c1N |t:2,TLB:20:8:2.3.7:5| Show InChI InChI=1S/C18H18Cl2N2/c1-2-9-3-10-5-11(4-9)16-14(6-10)22-15-8-12(19)7-13(20)17(15)18(16)21/h3,7-8,10-11H,2,4-6H2,1H3,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (BChE) in human serum				J Med Chem 43: 4657-66 (2001) BindingDB Entry DOI: 10.7270/Q2Q52Q9B
					More data for this Ligand-Target Pair