BDBM50311996 (S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)-2-(2-(6-chlorobenzo[b]thiophen-2-yl)acetamido)-5-oxopentanoate::CHEMBL1076243

SMILES: CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)Cc1cc2ccc(Cl)cc2s1

InChI Key: InChIKey=IZQYFZRXSFVMFI-HKBQPEDESA-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 = 50311996   

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 (Bos taurus (bovine))	BDBM50311996 ((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...) Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)Cc1cc2ccc(Cl)cc2s1 |r| Show InChI InChI=1S/C35H46ClN3O4S/c1-2-3-4-8-21-43-35(42)31(38-34(41)24-30-22-28-11-12-29(36)23-32(28)44-30)13-14-33(40)37-18-15-26-16-19-39(20-17-26)25-27-9-6-5-7-10-27/h5-7,9-12,22-23,26,31H,2-4,8,13-21,24-25H2,1H3,(H,37,40)(H,38,41)/t31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC) Curated by ChEMBL					Assay Description Inhibition of AChE in bovine erythrocyte by Ellman method				J Med Chem 52: 7249-57 (2009) Article DOI: 10.1021/jm900628z BindingDB Entry DOI: 10.7270/Q2668DB1
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50311996 ((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...) Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)Cc1cc2ccc(Cl)cc2s1 |r| Show InChI InChI=1S/C35H46ClN3O4S/c1-2-3-4-8-21-43-35(42)31(38-34(41)24-30-22-28-11-12-29(36)23-32(28)44-30)13-14-33(40)37-18-15-26-16-19-39(20-17-26)25-27-9-6-5-7-10-27/h5-7,9-12,22-23,26,31H,2-4,8,13-21,24-25H2,1H3,(H,37,40)(H,38,41)/t31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC) Curated by ChEMBL					Assay Description Inhibition of human BuChE in serum				J Med Chem 52: 7249-57 (2009) Article DOI: 10.1021/jm900628z BindingDB Entry DOI: 10.7270/Q2668DB1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50311996 ((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...) Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)Cc1cc2ccc(Cl)cc2s1 |r| Show InChI InChI=1S/C35H46ClN3O4S/c1-2-3-4-8-21-43-35(42)31(38-34(41)24-30-22-28-11-12-29(36)23-32(28)44-30)13-14-33(40)37-18-15-26-16-19-39(20-17-26)25-27-9-6-5-7-10-27/h5-7,9-12,22-23,26,31H,2-4,8,13-21,24-25H2,1H3,(H,37,40)(H,38,41)/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC) Curated by ChEMBL					Assay Description Inhibition of human AChE in erythrocyte				J Med Chem 52: 7249-57 (2009) Article DOI: 10.1021/jm900628z BindingDB Entry DOI: 10.7270/Q2668DB1
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50311996 ((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...) Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)Cc1cc2ccc(Cl)cc2s1 |r| Show InChI InChI=1S/C35H46ClN3O4S/c1-2-3-4-8-21-43-35(42)31(38-34(41)24-30-22-28-11-12-29(36)23-32(28)44-30)13-14-33(40)37-18-15-26-16-19-39(20-17-26)25-27-9-6-5-7-10-27/h5-7,9-12,22-23,26,31H,2-4,8,13-21,24-25H2,1H3,(H,37,40)(H,38,41)/t31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC) Curated by ChEMBL					Assay Description Inhibition of BuChE in horse serum by Ellman method				J Med Chem 52: 7249-57 (2009) Article DOI: 10.1021/jm900628z BindingDB Entry DOI: 10.7270/Q2668DB1
					More data for this Ligand-Target Pair