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BDBM10783 1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl N,N-dimethylcarbamate::Aminoindan deriv. 23a::N-propargylaminoindan 23a

SMILES: CN(C)C(=O)Oc1cccc2C(CCc12)NCC#C

InChI Key: InChIKey=ACQQSVLNYFFGER-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 10783   
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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10783
PNG
(1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
Show InChI InChI=1S/C15H18N2O2/c1-4-10-16-13-9-8-12-11(13)6-5-7-14(12)19-15(18)17(2)3/h1,5-7,13,16H,8-10H2,2-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 53n/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))
BDBM10783
PNG
(1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
Show InChI InChI=1S/C15H18N2O2/c1-4-10-16-13-9-8-12-11(13)6-5-7-14(12)19-15(18)17(2)3/h1,5-7,13,16H,8-10H2,2-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60E+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
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10783
PNG
(1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
Show InChI InChI=1S/C15H18N2O2/c1-4-10-16-13-9-8-12-11(13)6-5-7-14(12)19-15(18)17(2)3/h1,5-7,13,16H,8-10H2,2-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/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