BDBM11002 (1R)-N-methyl-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine::CHEMBL436947::N-methyl-N-propargyl-1(R)-aminoindan::R-MPAI::rasagiline analog

SMILES: CN(CC#C)[C@@H]1CCc2ccccc12

InChI Key: InChIKey=CSVGVHNFFZWQJU-CYBMUJFWSA-N

Data: 3 KI

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 3 hits for monomerid = 11002   

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))	BDBM11002 ((1R)-N-methyl-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-in...) Show SMILES CN(CC#C)[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	600	-8.48	n/a	n/a	n/a	n/a	n/a	7.5	25
Emory University					Assay Description MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...				J Med Chem 47: 1760-6 (2004) Article DOI: 10.1021/jm0310885 BindingDB Entry DOI: 10.7270/Q2P8494M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM11002 ((1R)-N-methyl-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-in...) Show SMILES CN(CC#C)[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kadir Has University Curated by ChEMBL					Assay Description Inhibition constant against human recombinant Monoamine oxidase-B				Bioorg Med Chem Lett 15: 4438-46 (2005) Article DOI: 10.1016/j.bmcl.2005.07.043 BindingDB Entry DOI: 10.7270/Q2KW5FKR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM11002 ((1R)-N-methyl-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-in...) Show SMILES CN(CC#C)[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.90E+3	-7.24	n/a	n/a	n/a	n/a	n/a	7.5	25
Emory University					Assay Description MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...				J Med Chem 47: 1760-6 (2004) Article DOI: 10.1021/jm0310885 BindingDB Entry DOI: 10.7270/Q2P8494M
					More data for this Ligand-Target Pair