BDBM50361447 CHEMBL1938397

SMILES: CN1CCN(CCC(=O)NN2c3ccccc3Sc3cc(Cl)ccc23)CC1

InChI Key: InChIKey=LDTUHBBEUPFGII-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 = 50361447   

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))	BDBM50361447 (CHEMBL1938397) Show SMILES CN1CCN(CCC(=O)NN2c3ccccc3Sc3cc(Cl)ccc23)CC1 Show InChI InChI=1S/C20H23ClN4OS/c1-23-10-12-24(13-11-23)9-8-20(26)22-25-16-4-2-3-5-18(16)27-19-14-15(21)6-7-17(19)25/h2-7,14H,8-13H2,1H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Inhibition of AChE in bovine erythrocytes using acetylthiocholine as substrate by Ellman method				Eur J Med Chem 46: 2224-35 (2011) Article DOI: 10.1016/j.ejmech.2011.03.003 BindingDB Entry DOI: 10.7270/Q2X34XWC
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50361447 (CHEMBL1938397) Show SMILES CN1CCN(CCC(=O)NN2c3ccccc3Sc3cc(Cl)ccc23)CC1 Show InChI InChI=1S/C20H23ClN4OS/c1-23-10-12-24(13-11-23)9-8-20(26)22-25-16-4-2-3-5-18(16)27-19-14-15(21)6-7-17(19)25/h2-7,14H,8-13H2,1H3,(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Inhibition of BuChE in horse serum using butyrylthiocholine as substrate by Ellman method				Eur J Med Chem 46: 2224-35 (2011) Article DOI: 10.1016/j.ejmech.2011.03.003 BindingDB Entry DOI: 10.7270/Q2X34XWC
					More data for this Ligand-Target Pair