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BDBM10774 (3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-5-yl N-ethyl-N-methylcarbamate::6-(N-methyl-N-ethyl-carbamoyloxy)-N-methyl-N-propargyl--1(R)-aminoindan::Aminoindan deriv. (R)19b::N-propargylaminoindan (R)19b::R-M6CPAI::rasagiline analog

SMILES: CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1

InChI Key: InChIKey=UJHNPGCWWGEWLU-MRXNPFEDSA-N

Data: 2 KI  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 6 hits for monomerid = 10774   
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] B


(Homo sapiens (Human))
BDBM10774
PNG
((3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1...)
Show SMILES CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1 |r|
Show InChI InChI=1S/C17H22N2O2/c1-5-11-19(4)16-10-8-13-7-9-14(12-15(13)16)21-17(20)18(3)6-2/h1,7,9,12,16H,6,8,10-11H2,2-4H3/t16-/m1/s1
PDB

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Article
PubMed
1.37E+5 -5.27n/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) A


(Homo sapiens (Human))
BDBM10774
PNG
((3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1...)
Show SMILES CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1 |r|
Show InChI InChI=1S/C17H22N2O2/c1-5-11-19(4)16-10-8-13-7-9-14(12-15(13)16)21-17(20)18(3)6-2/h1,7,9,12,16H,6,8,10-11H2,2-4H3/t16-/m1/s1
PDB

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UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
2.95E+5 -4.81n/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
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10774
PNG
((3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1...)
Show SMILES CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1 |r|
Show InChI InChI=1S/C17H22N2O2/c1-5-11-19(4)16-10-8-13-7-9-14(12-15(13)16)21-17(20)18(3)6-2/h1,7,9,12,16H,6,8,10-11H2,2-4H3/t16-/m1/s1
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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10774
PNG
((3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1...)
Show SMILES CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1 |r|
Show InChI InChI=1S/C17H22N2O2/c1-5-11-19(4)16-10-8-13-7-9-14(12-15(13)16)21-17(20)18(3)6-2/h1,7,9,12,16H,6,8,10-11H2,2-4H3/t16-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10774
PNG
((3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1...)
Show SMILES CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1 |r|
Show InChI InChI=1S/C17H22N2O2/c1-5-11-19(4)16-10-8-13-7-9-14(12-15(13)16)21-17(20)18(3)6-2/h1,7,9,12,16H,6,8,10-11H2,2-4H3/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10774
PNG
((3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1...)
Show SMILES CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1 |r|
Show InChI InChI=1S/C17H22N2O2/c1-5-11-19(4)16-10-8-13-7-9-14(12-15(13)16)21-17(20)18(3)6-2/h1,7,9,12,16H,6,8,10-11H2,2-4H3/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20E+6n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair