BDBM50111770 CHEMBL3605355

SMILES: C(CCCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12

InChI Key: InChIKey=LEWSUOGIDKRESS-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 = 50111770   

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))	BDBM50111770 (CHEMBL3605355) Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12 Show InChI InChI=1S/C23H31ClN4O8/c24-13-3-1-12(2-4-13)5-7-26-11-17(36-22-20(32)19(31)16(10-25)35-22)15-9-14(29)21(34-15)28-8-6-18(30)27-23(28)33/h1-4,6,8,14-17,19-22,26,29,31-32H,5,7,9-11,25H2,(H,27,30,33)/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	4.90E+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 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))	BDBM50111770 (CHEMBL3605355) Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12 Show InChI InChI=1S/C23H31ClN4O8/c24-13-3-1-12(2-4-13)5-7-26-11-17(36-22-20(32)19(31)16(10-25)35-22)15-9-14(29)21(34-15)28-8-6-18(30)27-23(28)33/h1-4,6,8,14-17,19-22,26,29,31-32H,5,7,9-11,25H2,(H,27,30,33)/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	16	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))	BDBM50111770 (CHEMBL3605355) Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12 Show InChI InChI=1S/C23H31ClN4O8/c24-13-3-1-12(2-4-13)5-7-26-11-17(36-22-20(32)19(31)16(10-25)35-22)15-9-14(29)21(34-15)28-8-6-18(30)27-23(28)33/h1-4,6,8,14-17,19-22,26,29,31-32H,5,7,9-11,25H2,(H,27,30,33)/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	13	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))	BDBM50111770 (CHEMBL3605355) Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12 Show InChI InChI=1S/C23H31ClN4O8/c24-13-3-1-12(2-4-13)5-7-26-11-17(36-22-20(32)19(31)16(10-25)35-22)15-9-14(29)21(34-15)28-8-6-18(30)27-23(28)33/h1-4,6,8,14-17,19-22,26,29,31-32H,5,7,9-11,25H2,(H,27,30,33)/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	1.42E+4	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