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BDBM217378 (S)-6-hydroxynicotine::5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one

SMILES: CN1CCC[C@H]1c1ccc(=O)[nH]c1

InChI Key: InChIKey=ATRCOGLZUCICIV-VIFPVBQESA-N

Data: 3 Kd

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 = 217378   
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
L-6-hydroxynicotine oxidase (LHNO 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

GoogleScholar
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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
L-6-hydroxynicotine oxidase (LHNO 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

GoogleScholar
Purchase

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
L-6-hydroxynicotine oxidase (LHNO 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

GoogleScholar
Purchase

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