BDBM50111776 CHEMBL3605361

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

InChI Key: InChIKey=XGZSOQVDRJWDRQ-IWUDHEKZSA-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 = 50111776   

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))	BDBM50111776 (CHEMBL3605361) Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1 Show InChI InChI=1S/C29H34N4O10/c30-13-21-24(36)25(37)28(42-21)43-22(20-12-19(34)27(41-20)33-11-10-23(35)32-29(33)39)14-31-26(38)17-6-8-18(9-7-17)40-15-16-4-2-1-3-5-16/h1-11,19-22,24-25,27-28,34,36-37H,12-15,30H2,(H,31,38)(H,32,35,39)/t19-,20+,21-,22+,24-,25-,27-,28+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	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))	BDBM50111776 (CHEMBL3605361) Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1 Show InChI InChI=1S/C29H34N4O10/c30-13-21-24(36)25(37)28(42-21)43-22(20-12-19(34)27(41-20)33-11-10-23(35)32-29(33)39)14-31-26(38)17-6-8-18(9-7-17)40-15-16-4-2-1-3-5-16/h1-11,19-22,24-25,27-28,34,36-37H,12-15,30H2,(H,31,38)(H,32,35,39)/t19-,20+,21-,22+,24-,25-,27-,28+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.450	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))	BDBM50111776 (CHEMBL3605361) Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1 Show InChI InChI=1S/C29H34N4O10/c30-13-21-24(36)25(37)28(42-21)43-22(20-12-19(34)27(41-20)33-11-10-23(35)32-29(33)39)14-31-26(38)17-6-8-18(9-7-17)40-15-16-4-2-1-3-5-16/h1-11,19-22,24-25,27-28,34,36-37H,12-15,30H2,(H,31,38)(H,32,35,39)/t19-,20+,21-,22+,24-,25-,27-,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	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))	BDBM50111776 (CHEMBL3605361) Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1 Show InChI InChI=1S/C29H34N4O10/c30-13-21-24(36)25(37)28(42-21)43-22(20-12-19(34)27(41-20)33-11-10-23(35)32-29(33)39)14-31-26(38)17-6-8-18(9-7-17)40-15-16-4-2-1-3-5-16/h1-11,19-22,24-25,27-28,34,36-37H,12-15,30H2,(H,31,38)(H,32,35,39)/t19-,20+,21-,22+,24-,25-,27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	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