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BDBM10992 rasagiline analog::(1R)-1-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-4-yl N-ethyl-N-methylcarbamate::4-(N-methyl-N-ethyl-carbamoyloxy)-N-methyl-N-propargyl-1(R)-aminoindan::R-M4CPAI

SMILES: CCN(C)C(=O)Oc1cccc2[C@@H](CCc12)N(C)CC#C

InChI Key: InChIKey=AGATWFCSQRRDGY-OAHLLOKOSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 10992   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM10992
PNG
( rasagiline analog | (1R)-1-[methyl(prop-2-yn-1-yl...)
Show SMILES CCN(C)C(=O)Oc1cccc2[C@@H](CCc12)N(C)CC#C |r|
Show InChI InChI=1S/C17H22N2O2/c1-5-12-19(4)15-11-10-14-13(15)8-7-9-16(14)21-17(20)18(3)6-2/h1,7-9,15H,6,10-12H2,2-4H3/t15-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.00E+3 -7.12n/an/an/an/an/a7.525



University of Pavia



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 48: 8148-54 (2005)


Article DOI: 10.1021/jm0506266
BindingDB Entry DOI: 10.7270/Q2T151WC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM10992
PNG
( rasagiline analog | (1R)-1-[methyl(prop-2-yn-1-yl...)
Show SMILES CCN(C)C(=O)Oc1cccc2[C@@H](CCc12)N(C)CC#C |r|
Show InChI InChI=1S/C17H22N2O2/c1-5-12-19(4)15-11-10-14-13(15)8-7-9-16(14)21-17(20)18(3)6-2/h1,7-9,15H,6,10-12H2,2-4H3/t15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+5 -5.30n/an/an/an/an/a7.525



University of Pavia



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 48: 8148-54 (2005)


Article DOI: 10.1021/jm0506266
BindingDB Entry DOI: 10.7270/Q2T151WC
More data for this
Ligand-Target Pair