BDBM50004659 CHEMBL321808::[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-(4-nitro-pyridazin-3-yl)-amine

SMILES: CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1

InChI Key: InChIKey=YSANROTYHBNTDV-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50004659   

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
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50004659 (CHEMBL321808 | [2-(5-Dimethylaminomethyl-furan-2-y...) Show SMILES CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1 Show InChI InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Binding affinity of the compound against mouse Muscarinic acetylcholine receptor M2 using heart tissue and [3H]-N-methylscopolamine				J Med Chem 35: 3141-7 (1992) BindingDB Entry DOI: 10.7270/Q200012X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50004659 (CHEMBL321808 | [2-(5-Dimethylaminomethyl-furan-2-y...) Show SMILES CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1 Show InChI InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description In vitro acetyl cholinesterase(AChE-I) inhibitory activity of the compound to determine its ability to reverse the cholinergic deficit characteristic...				J Med Chem 35: 3141-7 (1992) BindingDB Entry DOI: 10.7270/Q200012X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50004659 (CHEMBL321808 | [2-(5-Dimethylaminomethyl-furan-2-y...) Show SMILES CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1 Show InChI InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method				Bioorg Med Chem Lett 26: 5573-5579 (2016) Article DOI: 10.1016/j.bmcl.2016.09.072 BindingDB Entry DOI: 10.7270/Q22F7QDF
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50004659 (CHEMBL321808 | [2-(5-Dimethylaminomethyl-furan-2-y...) Show SMILES CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1 Show InChI InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description In vitro Butyrylcholinesterase inhibitory activity of the compound to determine its ability to reverse the cholinergic deficit characteristic of AD				J Med Chem 35: 3141-7 (1992) BindingDB Entry DOI: 10.7270/Q200012X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50004659 (CHEMBL321808 | [2-(5-Dimethylaminomethyl-furan-2-y...) Show SMILES CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1 Show InChI InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method				Bioorg Med Chem Lett 26: 5573-5579 (2016) Article DOI: 10.1016/j.bmcl.2016.09.072 BindingDB Entry DOI: 10.7270/Q22F7QDF
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Mus musculus)	BDBM50004659 (CHEMBL321808 | [2-(5-Dimethylaminomethyl-furan-2-y...) Show SMILES CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1 Show InChI InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Binding affinity of the compound against mouse Muscarinic acetylcholine receptor M1 using cerebral cortex and [3H]-pirenzepine				J Med Chem 35: 3141-7 (1992) BindingDB Entry DOI: 10.7270/Q200012X
					More data for this Ligand-Target Pair