BDBM50111772 CHEMBL3605357

SMILES: COc1ccc2n(CCCCCCCCCn3c4ccncc4c4cc(OC)ccc34)c3ccncc3c2c1

InChI Key: InChIKey=IBPFPXLLJNGLOK-FISCHTRNSA-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 = 50111772   

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))	BDBM50111772 (CHEMBL3605357) Show SMILES COc1ccc2n(CCCCCCCCCn3c4ccncc4c4cc(OC)ccc34)c3ccncc3c2c1 Show InChI InChI=1S/C22H37N5O8/c1-26-7-2-3-12(26)4-6-24-11-16(35-21-19(31)18(30)15(10-23)34-21)14-9-13(28)20(33-14)27-8-5-17(29)25-22(27)32/h5,8,12-16,18-21,24,28,30-31H,2-4,6-7,9-11,23H2,1H3,(H,25,29,32)/t12?,13-,14+,15-,16+,18-,19-,20-,21+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 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))	BDBM50111772 (CHEMBL3605357) Show SMILES COc1ccc2n(CCCCCCCCCn3c4ccncc4c4cc(OC)ccc34)c3ccncc3c2c1 Show InChI InChI=1S/C22H37N5O8/c1-26-7-2-3-12(26)4-6-24-11-16(35-21-19(31)18(30)15(10-23)34-21)14-9-13(28)20(33-14)27-8-5-17(29)25-22(27)32/h5,8,12-16,18-21,24,28,30-31H,2-4,6-7,9-11,23H2,1H3,(H,25,29,32)/t12?,13-,14+,15-,16+,18-,19-,20-,21+/m1/s1	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 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))	BDBM50111772 (CHEMBL3605357) Show SMILES COc1ccc2n(CCCCCCCCCn3c4ccncc4c4cc(OC)ccc34)c3ccncc3c2c1 Show InChI InChI=1S/C22H37N5O8/c1-26-7-2-3-12(26)4-6-24-11-16(35-21-19(31)18(30)15(10-23)34-21)14-9-13(28)20(33-14)27-8-5-17(29)25-22(27)32/h5,8,12-16,18-21,24,28,30-31H,2-4,6-7,9-11,23H2,1H3,(H,25,29,32)/t12?,13-,14+,15-,16+,18-,19-,20-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.5	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))	BDBM50111772 (CHEMBL3605357) Show SMILES COc1ccc2n(CCCCCCCCCn3c4ccncc4c4cc(OC)ccc34)c3ccncc3c2c1 Show InChI InChI=1S/C22H37N5O8/c1-26-7-2-3-12(26)4-6-24-11-16(35-21-19(31)18(30)15(10-23)34-21)14-9-13(28)20(33-14)27-8-5-17(29)25-22(27)32/h5,8,12-16,18-21,24,28,30-31H,2-4,6-7,9-11,23H2,1H3,(H,25,29,32)/t12?,13-,14+,15-,16+,18-,19-,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	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