BDBM50111778 CHEMBL3605363

SMILES: [I-].[I-].CC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CC)ccc34)c3ccccc3c2c1

InChI Key: InChIKey=QOFWENVYNYUISB-UDHQNBHYSA-N

Data: 4 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 4 hits for monomerid = 50111778   

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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50111778 (CHEMBL3605363) Show SMILES [I-].[I-].CC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CC)ccc34)c3ccccc3c2c1 Show InChI InChI=1S/C24H31F3N4O8/c25-24(26,27)13-3-1-2-12(8-13)4-6-29-11-17(39-22-20(35)19(34)16(10-28)38-22)15-9-14(32)21(37-15)31-7-5-18(33)30-23(31)36/h1-3,5,7-8,14-17,19-22,29,32,34-35H,4,6,9-11,28H2,(H,30,33,36)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA				J Med Chem 58: 6710-5 (2015) BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50111778 (CHEMBL3605363) Show SMILES [I-].[I-].CC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CC)ccc34)c3ccccc3c2c1 Show InChI InChI=1S/C24H31F3N4O8/c25-24(26,27)13-3-1-2-12(8-13)4-6-29-11-17(39-22-20(35)19(34)16(10-28)38-22)15-9-14(32)21(37-15)31-7-5-18(33)30-23(31)36/h1-3,5,7-8,14-17,19-22,29,32,34-35H,4,6,9-11,28H2,(H,30,33,36)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay				J Med Chem 58: 6710-5 (2015) BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50111778 (CHEMBL3605363) Show SMILES [I-].[I-].CC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CC)ccc34)c3ccccc3c2c1 Show InChI InChI=1S/C24H31F3N4O8/c25-24(26,27)13-3-1-2-12(8-13)4-6-29-11-17(39-22-20(35)19(34)16(10-28)38-22)15-9-14(32)21(37-15)31-7-5-18(33)30-23(31)36/h1-3,5,7-8,14-17,19-22,29,32,34-35H,4,6,9-11,28H2,(H,30,33,36)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay				J Med Chem 58: 6710-5 (2015) BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50111778 (CHEMBL3605363) Show SMILES [I-].[I-].CC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CC)ccc34)c3ccccc3c2c1 Show InChI InChI=1S/C24H31F3N4O8/c25-24(26,27)13-3-1-2-12(8-13)4-6-29-11-17(39-22-20(35)19(34)16(10-28)38-22)15-9-14(32)21(37-15)31-7-5-18(33)30-23(31)36/h1-3,5,7-8,14-17,19-22,29,32,34-35H,4,6,9-11,28H2,(H,30,33,36)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB				J Med Chem 58: 6710-5 (2015) BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
					More data for this Ligand-Target Pair