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SMILES: C(Cc1ccccc1)Nc1ccnc(n1)N1CCSCC1

InChI Key: InChIKey=LNJWYRWYXZPMBQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50319975   

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 (Electrophorus electricus (Electric eel))	BDBM50319975 (CHEMBL1082979 | N-phenethyl-2-thiomorpholinopyrimi...) Show SMILES C(Cc1ccccc1)Nc1ccnc(n1)N1CCSCC1 Show InChI InChI=1S/C16H20N4S/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50319975 (CHEMBL1082979 | N-phenethyl-2-thiomorpholinopyrimi...) Show SMILES C(Cc1ccccc1)Nc1ccnc(n1)N1CCSCC1 Show InChI InChI=1S/C16H20N4S/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)	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	2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE incubated with compounf for 5 mins before addition of substrate acetylthiocholine iodide by Ellman's method				Bioorg Med Chem 19: 2269-81 (2011) Article DOI: 10.1016/j.bmc.2011.02.030 BindingDB Entry DOI: 10.7270/Q2Q240JH
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50319975 (CHEMBL1082979 | N-phenethyl-2-thiomorpholinopyrimi...) Show SMILES C(Cc1ccccc1)Nc1ccnc(n1)N1CCSCC1 Show InChI InChI=1S/C16H20N4S/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BChE incubated with compounf for 5 mins before addition of substrate S-butyrylthiocholine iodide by Ellman's method				Bioorg Med Chem 19: 2269-81 (2011) Article DOI: 10.1016/j.bmc.2011.02.030 BindingDB Entry DOI: 10.7270/Q2Q240JH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319975 (CHEMBL1082979 | N-phenethyl-2-thiomorpholinopyrimi...) Show SMILES C(Cc1ccccc1)Nc1ccnc(n1)N1CCSCC1 Show InChI InChI=1S/C16H20N4S/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair