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BDBM10777 3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl N,N-dimethylcarbamate::Aminoindan deriv. 21a::N-propargylaminoindan 21a

SMILES: CN(C)C(=O)Oc1cccc2CCC(NCC#C)c12

InChI Key: InChIKey=HVCOWYUWVWKCLH-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 10777   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10777
PNG
(3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
Show InChI InChI=1S/C15H18N2O2/c1-4-10-16-12-9-8-11-6-5-7-13(14(11)12)19-15(18)17(2)3/h1,5-7,12,16H,8-10H2,2-3H3
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antibodypedia
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Article
PubMed
n/an/a 2.50E+3n/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))
BDBM10777
PNG
(3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
Show InChI InChI=1S/C15H18N2O2/c1-4-10-16-12-9-8-11-6-5-7-13(14(11)12)19-15(18)17(2)3/h1,5-7,12,16H,8-10H2,2-3H3
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Article
PubMed
n/an/a>1.00E+6n/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
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10777
PNG
(3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
Show InChI InChI=1S/C15H18N2O2/c1-4-10-16-12-9-8-11-6-5-7-13(14(11)12)19-15(18)17(2)3/h1,5-7,12,16H,8-10H2,2-3H3
PDB
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Reactome pathway

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PC cid
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Article
PubMed
n/an/a>1.00E+6n/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))
BDBM10777
PNG
(3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
Show InChI InChI=1S/C15H18N2O2/c1-4-10-16-12-9-8-11-6-5-7-13(14(11)12)19-15(18)17(2)3/h1,5-7,12,16H,8-10H2,2-3H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+3n/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