BDBM50198437 CHEMBL577016::GNF-Pf-5524

SMILES: CCSc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=XGZDCBGAMNLKSW-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 = 50198437   

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 (Homo sapiens (Human))	BDBM50198437 (CHEMBL577016 | GNF-Pf-5524) Show SMILES CCSc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C24H23N3OS2/c1-2-29-24-25-22-21(23(28)27(24)18-11-7-4-8-12-18)19-13-14-26(16-20(19)30-22)15-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay				J Med Chem 59: 9409-9421 (2016) Article DOI: 10.1021/acs.jmedchem.6b00967 BindingDB Entry DOI: 10.7270/Q2HM5BFB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50198437 (CHEMBL577016 | GNF-Pf-5524) Show SMILES CCSc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C24H23N3OS2/c1-2-29-24-25-22-21(23(28)27(24)18-11-7-4-8-12-18)19-13-14-26(16-20(19)30-22)15-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of Anopheles gambiae recombinant AChE1 expressed in baculovirus infected insect Sf9 cells using acetylthiocholine iodide as substrate meas...				J Med Chem 59: 9409-9421 (2016) Article DOI: 10.1021/acs.jmedchem.6b00967 BindingDB Entry DOI: 10.7270/Q2HM5BFB
					More data for this Ligand-Target Pair