BDBM50099590 CHEMBL3343920

SMILES: Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=QWENAWZBDMGXSP-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 = 50099590   

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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50099590 (CHEMBL3343920) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H39N5O/c1-23-32-27(24-14-6-9-17-28(24)39-32)22-31(37-23)34(40)36-21-13-5-3-2-4-12-20-35-33-25-15-7-10-18-29(25)38-30-19-11-8-16-26(30)33/h6-7,9-10,14-15,17-18,22,39H,2-5,8,11-13,16,19-21H2,1H3,(H,35,38)(H,36,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099590 (CHEMBL3343920) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H39N5O/c1-23-32-27(24-14-6-9-17-28(24)39-32)22-31(37-23)34(40)36-21-13-5-3-2-4-12-20-35-33-25-15-7-10-18-29(25)38-30-19-11-8-16-26(30)33/h6-7,9-10,14-15,17-18,22,39H,2-5,8,11-13,16,19-21H2,1H3,(H,35,38)(H,36,40)	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	153	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099590 (CHEMBL3343920) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H39N5O/c1-23-32-27(24-14-6-9-17-28(24)39-32)22-31(37-23)34(40)36-21-13-5-3-2-4-12-20-35-33-25-15-7-10-18-29(25)38-30-19-11-8-16-26(30)33/h6-7,9-10,14-15,17-18,22,39H,2-5,8,11-13,16,19-21H2,1H3,(H,35,38)(H,36,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair