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4 similar compounds to monomer 10989

Compile data set for download or QSAR
Wt: 147.2
BDBM10995
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Wt: 147.2
BDBM10996
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Wt: 171.2
BDBM11000
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Wt: 185.2
BDBM11002
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 10995,10996,11000,11002   
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))
BDBM11002
PNG
((1R)-N-methyl-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-in...)
Show SMILES CN(CC#C)[C@@H]1CCc2ccccc12
Show InChI InChI=1/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-/s2
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PubMed
600 -8.48n/an/an/an/an/a7.525



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
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM11002
PNG
((1R)-N-methyl-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-in...)
Show SMILES CN(CC#C)[C@@H]1CCc2ccccc12
Show InChI InChI=1/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-/s2
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600n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM11002
PNG
((1R)-N-methyl-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-in...)
Show SMILES CN(CC#C)[C@@H]1CCc2ccccc12
Show InChI InChI=1/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-/s2
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PubMed
4.90E+3 -7.24n/an/an/an/an/a7.525



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM10995
PNG
((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)
Show SMILES CN[C@@H]1CCc2ccccc12
Show InChI InChI=1/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/s2
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PubMed
1.70E+4 -6.50n/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
3D
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM10996
PNG
((1S)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)
Show SMILES CN[C@H]1CCc2ccccc12
Show InChI InChI=1/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/s2
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Article
PubMed
5.00E+4 -5.86n/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))
BDBM10995
PNG
((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)
Show SMILES CN[C@@H]1CCc2ccccc12
Show InChI InChI=1/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/s2
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PubMed
5.60E+4 -5.80n/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))
BDBM11000
PNG
((1S)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@H]1CCc2ccccc12
Show InChI InChI=1/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/s2
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Article
PubMed
1.12E+5 -5.39n/an/an/an/an/a7.525



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM11000
PNG
((1S)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@H]1CCc2ccccc12
Show InChI InChI=1/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/s2
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Article
PubMed
1.27E+5 -5.31n/an/an/an/an/a7.525



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
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM10996
PNG
((1S)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)
Show SMILES CN[C@H]1CCc2ccccc12
Show InChI InChI=1/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/s2
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PubMed
2.70E+5 -4.86n/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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM10995
PNG
((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)
Show SMILES CN[C@@H]1CCc2ccccc12
Show InChI InChI=1/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/s2
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PubMed
n/an/a 200n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) using PDKtide substrate and [gamma-32P]ATP by scintillation counting method


Bioorg Med Chem 22: 3781-90 (2014)


Article DOI: 10.1016/j.bmc.2014.04.037
BindingDB Entry DOI: 10.7270/Q2DB83HS
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM10995
PNG
((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)
Show SMILES CN[C@@H]1CCc2ccccc12
Show InChI InChI=1/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/s2
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PubMed
n/an/a 200n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) expressed in HEK293 cells using PDKtide as substrate after 10 mins by liquid scintillation counting in presence o...


Bioorg Med Chem 22: 3879-86 (2014)


Article DOI: 10.1016/j.bmc.2014.06.018
BindingDB Entry DOI: 10.7270/Q2DR2X53
More data for this
Ligand-Target Pair