BDBM50401096 CHEMBL2204448

SMILES: OC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=YFQNCPFXYSSUEF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50401096   

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))	BDBM50401096 (CHEMBL2204448) Show SMILES OC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H31N3O3/c27-21(13-14-22(28)29)24-15-7-1-2-8-16-25-23-17-9-3-5-11-19(17)26-20-12-6-4-10-18(20)23/h3,5,9,11H,1-2,4,6-8,10,12-16H2,(H,24,27)(H,25,26)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of horse AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50401096 (CHEMBL2204448) Show SMILES OC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H31N3O3/c27-21(13-14-22(28)29)24-15-7-1-2-8-16-25-23-17-9-3-5-11-19(17)26-20-12-6-4-10-18(20)23/h3,5,9,11H,1-2,4,6-8,10,12-16H2,(H,24,27)(H,25,26)(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50401096 (CHEMBL2204448) Show SMILES OC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H31N3O3/c27-21(13-14-22(28)29)24-15-7-1-2-8-16-25-23-17-9-3-5-11-19(17)26-20-12-6-4-10-18(20)23/h3,5,9,11H,1-2,4,6-8,10,12-16H2,(H,24,27)(H,25,26)(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50401096 (CHEMBL2204448) Show SMILES OC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H31N3O3/c27-21(13-14-22(28)29)24-15-7-1-2-8-16-25-23-17-9-3-5-11-19(17)26-20-12-6-4-10-18(20)23/h3,5,9,11H,1-2,4,6-8,10,12-16H2,(H,24,27)(H,25,26)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	363	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of horse AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair