BDBM50364475 CHEMBL1950704

SMILES: COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=VPUIXYNTJOAIDX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50364475   

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] B (Homo sapiens (Human))	BDBM50364475 (CHEMBL1950704) Show SMILES COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H26F3N3O2/c1-14-10-12-28-21-18(29-15(2)5-4-11-27)13-19(30-3)22(20(14)21)31-17-8-6-16(7-9-17)23(24,25)26/h6-10,12-13,15,29H,4-5,11,27H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay				Bioorg Med Chem Lett 22: 1701-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.108 BindingDB Entry DOI: 10.7270/Q2KS6S12
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50364475 (CHEMBL1950704) Show SMILES COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H26F3N3O2/c1-14-10-12-28-21-18(29-15(2)5-4-11-27)13-19(30-3)22(20(14)21)31-17-8-6-16(7-9-17)23(24,25)26/h6-10,12-13,15,29H,4-5,11,27H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay				Bioorg Med Chem Lett 22: 1701-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.108 BindingDB Entry DOI: 10.7270/Q2KS6S12
					More data for this Ligand-Target Pair