BDBM50342606 2,5-bis(3-(benzo[d]thiazol-2-ylmethylamino)propylamino)cyclohexa-2,5-diene-1,4-dione::CHEMBL1770552

SMILES: Oc1cc(N=CCCNCc2nc3ccccc3s2)c(O)cc1NCCCNCc1nc2ccccc2s1

InChI Key: InChIKey=BWNPPJBFHCQZMY-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 = 50342606   

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
Cholinesterases (Homo sapiens (Human))	BDBM50342606 (2,5-bis(3-(benzo[d]thiazol-2-ylmethylamino)propyla...) Show SMILES Oc1cc(N=CCCNCc2nc3ccccc3s2)c(O)cc1NCCCNCc1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C28H30N6O2S2/c35-23-16-22(32-14-6-12-30-18-28-34-20-8-2-4-10-26(20)38-28)24(36)15-21(23)31-13-5-11-29-17-27-33-19-7-1-3-9-25(19)37-27/h1-4,7-10,13,15-16,29-30,32,35-36H,5-6,11-12,14,17-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University Curated by ChEMBL					Assay Description Inhibition of human serum BuChE				Bioorg Med Chem Lett 21: 2655-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.093 BindingDB Entry DOI: 10.7270/Q2445MSW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50342606 (2,5-bis(3-(benzo[d]thiazol-2-ylmethylamino)propyla...) Show SMILES Oc1cc(N=CCCNCc2nc3ccccc3s2)c(O)cc1NCCCNCc1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C28H30N6O2S2/c35-23-16-22(32-14-6-12-30-18-28-34-20-8-2-4-10-26(20)38-28)24(36)15-21(23)31-13-5-11-29-17-27-33-19-7-1-3-9-25(19)37-27/h1-4,7-10,13,15-16,29-30,32,35-36H,5-6,11-12,14,17-18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University Curated by ChEMBL					Assay Description Inhibition of human serum AChE				Bioorg Med Chem Lett 21: 2655-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.093 BindingDB Entry DOI: 10.7270/Q2445MSW
					More data for this Ligand-Target Pair