BDBM50049860 CHEMBL3322234

SMILES: Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12

InChI Key: InChIKey=HUAUVHYOLGBGMR-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 = 50049860   

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))	BDBM50049860 (CHEMBL3322234) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C37H37Cl2N5O/c38-25-13-10-23(11-14-25)34-29-8-6-20-41-36(29)30-21-24(12-17-32(30)44-34)37(45)42-19-5-1-4-18-40-35-27-7-2-3-9-31(27)43-33-22-26(39)15-16-28(33)35/h10-17,21-22,41H,1-9,18-20H2,(H,40,43)(H,42,45)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50049860 (CHEMBL3322234) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C37H37Cl2N5O/c38-25-13-10-23(11-14-25)34-29-8-6-20-41-36(29)30-21-24(12-17-32(30)44-34)37(45)42-19-5-1-4-18-40-35-27-7-2-3-9-31(27)43-33-22-26(39)15-16-28(33)35/h10-17,21-22,41H,1-9,18-20H2,(H,40,43)(H,42,45)	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	337	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair