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PubMed code 1610807

Compile data set for download or QSAR
Found 6 hits of 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] A


(Homo sapiens (Human))
BDBM92983
PNG
(MPP analogue, 19)
Show SMILES C[n+]1ccc(Cc2cccc3ccccc23)cc1
Show InChI InChI=1S/C17H16N/c1-18-11-9-14(10-12-18)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-12H,13H2,1H3/q+1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
5.50E+3n/an/an/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition assay using MAO-A and MAO-B.


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM92982
PNG
(MPP analogue, 18)
Show SMILES C[n+]1ccc(Cc2ccccc2F)cc1
Show InChI InChI=1S/C13H13FN/c1-15-8-6-11(7-9-15)10-12-4-2-3-5-13(12)14/h2-9H,10H2,1H3/q+1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
2.90E+4n/an/an/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition assay using MAO-A and MAO-B.


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM92981
PNG
(MPP analogue, 17)
Show SMILES C[n+]1ccc(CCc2ccccc2)cc1
Show InChI InChI=1S/C14H16N/c1-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3/q+1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
3.70E+4n/an/an/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition assay using MAO-A and MAO-B.


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


(Homo sapiens (Human))
BDBM92981
PNG
(MPP analogue, 17)
Show SMILES C[n+]1ccc(CCc2ccccc2)cc1
Show InChI InChI=1S/C14H16N/c1-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition assay using MAO-A and MAO-B.


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


(Homo sapiens (Human))
BDBM92983
PNG
(MPP analogue, 19)
Show SMILES C[n+]1ccc(Cc2cccc3ccccc23)cc1
Show InChI InChI=1S/C17H16N/c1-18-11-9-14(10-12-18)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-12H,13H2,1H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 8.50E+5n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition assay using MAO-A and MAO-B.


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


(Homo sapiens (Human))
BDBM92982
PNG
(MPP analogue, 18)
Show SMILES C[n+]1ccc(Cc2ccccc2F)cc1
Show InChI InChI=1S/C13H13FN/c1-15-8-6-11(7-9-15)10-12-4-2-3-5-13(12)14/h2-9H,10H2,1H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.00E+6n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition assay using MAO-A and MAO-B.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%