BDBM50193512 CHEMBL3931628

SMILES: CN1c2ccccc2C(NCCCCCCC(=O)NCCCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O

InChI Key: InChIKey=CDMNBMDFOWUGOE-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 = 50193512   

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 (Rattus norvegicus (rat))	BDBM50193512 (CHEMBL3931628) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C38H46ClN5O3S/c1-44-34-19-10-7-16-30(34)38(31-22-21-27(39)26-35(31)48(44,46)47)42-24-11-3-2-4-20-36(45)40-23-12-13-25-41-37-28-14-5-8-17-32(28)43-33-18-9-6-15-29(33)37/h5,7-8,10,14,16-17,19,21-22,26,38,42H,2-4,6,9,11-13,15,18,20,23-25H2,1H3,(H,40,45)(H,41,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of Wistar rat brain AChE using acetylthiochloline iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50193512 (CHEMBL3931628) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C38H46ClN5O3S/c1-44-34-19-10-7-16-30(34)38(31-22-21-27(39)26-35(31)48(44,46)47)42-24-11-3-2-4-20-36(45)40-23-12-13-25-41-37-28-14-5-8-17-32(28)43-33-18-9-6-15-29(33)37/h5,7-8,10,14,16-17,19,21-22,26,38,42H,2-4,6,9,11-13,15,18,20,23-25H2,1H3,(H,40,45)(H,41,43)	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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair