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PDB code 2BK3

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 6 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM11021
PNG
((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CO
Show InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
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Article
PubMed
800 -34.8n/an/an/an/an/a7.425



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...


J Biol Chem 280: 15761-6 (2005)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM11021
PNG
((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CO
Show InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
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PubMed
2.30E+3 -32.2n/an/an/an/an/a7.525



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...


J Biol Chem 280: 15761-6 (2005)

More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)

  (461/518 = 89%)
(Mus musculus)
BDBM11021
PNG
((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CO
Show InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
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PubMed
2.40E+3 -32.1n/an/an/an/an/a7.425



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...


J Biol Chem 280: 15761-6 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine Oxidase Type B (MAO-B)

  (461/519 = 89%)
(Rattus norvegicus (rat))
BDBM11021
PNG
((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CO
Show InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
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PubMed
5.00E+3 -30.3n/an/an/an/an/a7.425



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...


J Biol Chem 280: 15761-6 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine oxidase type B (MAO-B) Mutant (I199F)

  (519/520 > 99%)
(Homo sapiens (human))
BDBM11021
PNG
((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CO
Show InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
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PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...


J Biol Chem 280: 15761-6 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine Oxidase Type B (MAO-B)

  (476/520 = 92%)
(Bos taurus)
BDBM11021
PNG
((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CO
Show InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
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Article
PubMed
>1.00E+6>-17.1n/an/an/an/an/a7.425



Emory University



Assay Description
MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...


J Biol Chem 280: 15761-6 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output