BDBM50087791 But-2-ynyl-(5-methoxy-1-methyl-1H-indol-2-ylmethyl)-methyl-amine (FA45)::CHEMBL44433

SMILES: COc1ccc2n(C)c(CN(C)CC#CC)cc2c1

InChI Key: InChIKey=KKLZNQRBJZRIGV-UHFFFAOYSA-N

Data: 2 KI

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 = 50087791   

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
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50087791 (But-2-ynyl-(5-methoxy-1-methyl-1H-indol-2-ylmethyl...) Show SMILES COc1ccc2n(C)c(CN(C)CC#CC)cc2c1 Show InChI InChI=1S/C16H20N2O/c1-5-6-9-17(2)12-14-10-13-11-15(19-4)7-8-16(13)18(14)3/h7-8,10-11H,9,12H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50087791 (But-2-ynyl-(5-methoxy-1-methyl-1H-indol-2-ylmethyl...) Show SMILES COc1ccc2n(C)c(CN(C)CC#CC)cc2c1 Show InChI InChI=1S/C16H20N2O/c1-5-6-9-17(2)12-14-10-13-11-15(19-4)7-8-16(13)18(14)3/h7-8,10-11H,9,12H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair