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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'chadegani' and Initial = 'f'   
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
(S)-6-hydroxynicotine oxidase


(Arthrobacter nicotinovorans)
BDBM181053
PNG
((S)-6-hydroxynicotine)
Show SMILES C[NH+]1CCC[C@H]1c1ccc(=O)[nH]c1 |r|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.00E+5n/an/an/a8.0n/a



University of Texas Health Science Center at San Antonio



Assay Description
Initial rates of amine oxidation were routinely measured by monitoring oxygen consumption in 0.1 M Hepes (pH 8.0) and 0.1 M NaCl at 25 °C using an ox...


Biochemistry 55: 697-703 (2016)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2HD7TFT
More data for this
Ligand-Target Pair
(S)-6-hydroxynicotine oxidase


(Arthrobacter nicotinovorans)
BDBM181054
PNG
((S)-6-hydroxynornicotine)
Show SMILES O=c1ccc(c[nH]1)[C@@H]1CCC[NH2+]1 |r|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.00E+5n/an/an/a8.0n/a



University of Texas Health Science Center at San Antonio



Assay Description
Initial rates of amine oxidation were routinely measured by monitoring oxygen consumption in 0.1 M Hepes (pH 8.0) and 0.1 M NaCl at 25 °C using an ox...


Biochemistry 55: 697-703 (2016)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2HD7TFT
More data for this
Ligand-Target Pair
(S)-6-hydroxynicotine oxidase


(Arthrobacter nicotinovorans)
BDBM181055
PNG
((S)-nornicotine)
Show SMILES C1C[NH2+][C@@H](C1)c1cccnc1 |r|
Show InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/p+1/t9-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 4.60E+6n/an/an/a8.0n/a



University of Texas Health Science Center at San Antonio



Assay Description
Initial rates of amine oxidation were routinely measured by monitoring oxygen consumption in 0.1 M Hepes (pH 8.0) and 0.1 M NaCl at 25 °C using an ox...


Biochemistry 55: 697-703 (2016)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2HD7TFT
More data for this
Ligand-Target Pair
(S)-6-hydroxynicotine oxidase [Y311F]


(Arthrobacter nicotinovorans)
BDBM217378
PNG
((S)-6-hydroxynicotine | 5-[(2S)-1-methylpyrrolidin...)
Show SMILES CN1CCC[C@H]1c1ccc(=O)[nH]c1
Show InChI InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 9.60E+4n/an/an/a8.0298.15



University of Texas Health Science Center



Assay Description
Initial rates of amine oxidation were measured by monitoring oxygen consumption using an oxygen electrode (model 5300A, Yellow Springs Instruments, Y...


Biochemistry 56: 869-875 (2017)


Article DOI: 10.1021/acs.biochem.6b01160
BindingDB Entry DOI: 10.7270/Q2BR8R0F
More data for this
Ligand-Target Pair
(S)-6-hydroxynicotine oxidase [N166A]


(Arthrobacter nicotinovorans)
BDBM217378
PNG
((S)-6-hydroxynicotine | 5-[(2S)-1-methylpyrrolidin...)
Show SMILES CN1CCC[C@H]1c1ccc(=O)[nH]c1
Show InChI InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.10E+5n/an/an/a8.0298.15



University of Texas Health Science Center



Assay Description
Initial rates of amine oxidation were measured by monitoring oxygen consumption using an oxygen electrode (model 5300A, Yellow Springs Instruments, Y...


Biochemistry 56: 869-875 (2017)


Article DOI: 10.1021/acs.biochem.6b01160
BindingDB Entry DOI: 10.7270/Q2BR8R0F
More data for this
Ligand-Target Pair
(S)-6-hydroxynicotine oxidase [K287M]


(Arthrobacter nicotinovorans)
BDBM217378
PNG
((S)-6-hydroxynicotine | 5-[(2S)-1-methylpyrrolidin...)
Show SMILES CN1CCC[C@H]1c1ccc(=O)[nH]c1
Show InChI InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.10E+4n/an/an/a8.0298.15



University of Texas Health Science Center



Assay Description
Initial rates of amine oxidation were measured by monitoring oxygen consumption using an oxygen electrode (model 5300A, Yellow Springs Instruments, Y...


Biochemistry 56: 869-875 (2017)


Article DOI: 10.1021/acs.biochem.6b01160
BindingDB Entry DOI: 10.7270/Q2BR8R0F
More data for this
Ligand-Target Pair
(S)-6-hydroxynicotine oxidase


(Arthrobacter nicotinovorans)
BDBM181056
PNG
((S)-4-(1-methylpyrrolidine-2-yl)phenol)
Show SMILES C[NH+]1CCC[C@H]1c1ccc(O)cc1 |r|
Show InChI InChI=1S/C11H15NO/c1-12-8-2-3-11(12)9-4-6-10(13)7-5-9/h4-7,11,13H,2-3,8H2,1H3/p+1/t11-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.00E+6n/an/an/a8.0n/a



University of Texas Health Science Center at San Antonio



Assay Description
Initial rates of amine oxidation were routinely measured by monitoring oxygen consumption in 0.1 M Hepes (pH 8.0) and 0.1 M NaCl at 25 °C using an ox...


Biochemistry 55: 697-703 (2016)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2HD7TFT
More data for this
Ligand-Target Pair