BDBM50111769 CHEMBL3605354

SMILES: C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12

InChI Key: InChIKey=ZXHQVBQBXYWKAB-VXAIIWMZSA-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 = 50111769   

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))	BDBM50111769 (CHEMBL3605354) Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12 Show InChI InChI=1S/C25H44N6O8/c1-3-28(4-2)7-8-29-9-11-30(12-10-29)15-19(39-24-22(35)21(34)18(14-26)38-24)17-13-16(32)23(37-17)31-6-5-20(33)27-25(31)36/h5-6,16-19,21-24,32,34-35H,3-4,7-15,26H2,1-2H3,(H,27,33,36)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+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))	BDBM50111769 (CHEMBL3605354) Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12 Show InChI InChI=1S/C25H44N6O8/c1-3-28(4-2)7-8-29-9-11-30(12-10-29)15-19(39-24-22(35)21(34)18(14-26)38-24)17-13-16(32)23(37-17)31-6-5-20(33)27-25(31)36/h5-6,16-19,21-24,32,34-35H,3-4,7-15,26H2,1-2H3,(H,27,33,36)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	89	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))	BDBM50111769 (CHEMBL3605354) Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12 Show InChI InChI=1S/C25H44N6O8/c1-3-28(4-2)7-8-29-9-11-30(12-10-29)15-19(39-24-22(35)21(34)18(14-26)38-24)17-13-16(32)23(37-17)31-6-5-20(33)27-25(31)36/h5-6,16-19,21-24,32,34-35H,3-4,7-15,26H2,1-2H3,(H,27,33,36)/t16-,17+,18-,19+,21-,22-,23-,24+/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))	BDBM50111769 (CHEMBL3605354) Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12 Show InChI InChI=1S/C25H44N6O8/c1-3-28(4-2)7-8-29-9-11-30(12-10-29)15-19(39-24-22(35)21(34)18(14-26)38-24)17-13-16(32)23(37-17)31-6-5-20(33)27-25(31)36/h5-6,16-19,21-24,32,34-35H,3-4,7-15,26H2,1-2H3,(H,27,33,36)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+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