BDBM50342608 2,5-bis(3-(4-(benzo[d]thiazol-2-yl)benzylamino)propylamino)cyclohexa-2,5-diene-1,4-dione::CHEMBL1770554

SMILES: Oc1cc(N=CCCNCc2ccc(cc2)-c2nc3ccccc3s2)c(O)cc1NCCCNCc1ccc(cc1)-c1nc2ccccc2s1

InChI Key: InChIKey=OHKOWOMDCVTNBO-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 = 50342608   

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))	BDBM50342608 (2,5-bis(3-(4-(benzo[d]thiazol-2-yl)benzylamino)pro...) Show SMILES Oc1cc(N=CCCNCc2ccc(cc2)-c2nc3ccccc3s2)c(O)cc1NCCCNCc1ccc(cc1)-c1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C40H38N6O2S2/c47-35-24-34(44-22-6-20-42-26-28-13-17-30(18-14-28)40-46-32-8-2-4-10-38(32)50-40)36(48)23-33(35)43-21-5-19-41-25-27-11-15-29(16-12-27)39-45-31-7-1-3-9-37(31)49-39/h1-4,7-18,21,23-24,41-42,44,47-48H,5-6,19-20,22,25-26H2	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	3.53E+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))	BDBM50342608 (2,5-bis(3-(4-(benzo[d]thiazol-2-yl)benzylamino)pro...) Show SMILES Oc1cc(N=CCCNCc2ccc(cc2)-c2nc3ccccc3s2)c(O)cc1NCCCNCc1ccc(cc1)-c1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C40H38N6O2S2/c47-35-24-34(44-22-6-20-42-26-28-13-17-30(18-14-28)40-46-32-8-2-4-10-38(32)50-40)36(48)23-33(35)43-21-5-19-41-25-27-11-15-29(16-12-27)39-45-31-7-1-3-9-37(31)49-39/h1-4,7-18,21,23-24,41-42,44,47-48H,5-6,19-20,22,25-26H2	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	3.14E+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