BDBM50111783 CHEMBL3605368

SMILES: CN1CCc2c(C1)c1ccccc1n2CCCCCCCCn1c2CCN(C)Cc2c2ccccc12

InChI Key: InChIKey=KRAFNDPYRZERBU-NGGDQPKYSA-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 = 50111783   

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))	BDBM50111783 (CHEMBL3605368) Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCCn1c2CCN(C)Cc2c2ccccc12 Show InChI InChI=1S/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-11-10-22(34)31-28(32)38)14-30-25(37)15-6-8-17(9-7-15)39-16-4-2-1-3-5-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50111783 (CHEMBL3605368) Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCCn1c2CCN(C)Cc2c2ccccc12 Show InChI InChI=1S/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-11-10-22(34)31-28(32)38)14-30-25(37)15-6-8-17(9-7-15)39-16-4-2-1-3-5-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50111783 (CHEMBL3605368) Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCCn1c2CCN(C)Cc2c2ccccc12 Show InChI InChI=1S/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-11-10-22(34)31-28(32)38)14-30-25(37)15-6-8-17(9-7-15)39-16-4-2-1-3-5-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50111783 (CHEMBL3605368) Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCCn1c2CCN(C)Cc2c2ccccc12 Show InChI InChI=1S/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-11-10-22(34)31-28(32)38)14-30-25(37)15-6-8-17(9-7-15)39-16-4-2-1-3-5-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	690	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