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PubMed code 22591317

Compile data set for download or QSAR
Found 5 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
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))		BDBM241973
PNG
(Oxytetracycline hydrochloride)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(O)=C(C(N)=O)C1=O |t:8,29|
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
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UniChem
Article
PubMed
 2.00E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
PON activities were measured in the presence of different drug concentrations. Control activity was assumed to be 100% in the absence of inhibitor. E...

J Enzyme Inhib Med Chem 28: 758-64 (2013)


Article DOI: 10.3109/14756366.2012.681653
BindingDB Entry DOI: 10.7270/Q25B01CZ
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))		BDBM241974
PNG
(Netilmycin sulfate)
Show SMILES CCN[C@@H]1C[C@H](N)[C@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O |c:13|
Show InChI InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16+,17+,18-,19-,20-,21+/m1/s1
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UniChem
Article
PubMed
 3.73E+6n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
PON activities were measured in the presence of different drug concentrations. Control activity was assumed to be 100% in the absence of inhibitor. E...

J Enzyme Inhib Med Chem 28: 758-64 (2013)


Article DOI: 10.3109/14756366.2012.681653
BindingDB Entry DOI: 10.7270/Q25B01CZ
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))		BDBM50335522
PNG
((2S,4R)-N-((1R,2R)-2-hydroxy-1-((2R,3R,4S,5R,6R)-3...)
Show SMILES CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1
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Similars
Article
PubMed
 1.83E+7n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
PON activities were measured in the presence of different drug concentrations. Control activity was assumed to be 100% in the absence of inhibitor. E...

J Enzyme Inhib Med Chem 28: 758-64 (2013)


Article DOI: 10.3109/14756366.2012.681653
BindingDB Entry DOI: 10.7270/Q25B01CZ
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))		BDBM241975
PNG
(Clindamycin phosphate)
Show SMILES CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13+,14-,15+,16+,18+/m0/s1
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MCE
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PC cid
PC sid
UniChem
Article
PubMed
 3.58E+7n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
PON activities were measured in the presence of different drug concentrations. Control activity was assumed to be 100% in the absence of inhibitor. E...

J Enzyme Inhib Med Chem 28: 758-64 (2013)


Article DOI: 10.3109/14756366.2012.681653
BindingDB Entry DOI: 10.7270/Q25B01CZ
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))		BDBM241976
PNG
(Streptomycin sulfate)
Show SMILES [#6]-[#7]-[#6@@H]-1-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](-[#6]-[#8])-[#8]-[#6@@H]-1-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-2\[#7]=[#6](\[#7])-[#7])-[#8]-[#6@H](-[#6])[C@@]1([#8])[#6]=O
Show InChI InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m1/s1
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PC cid
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UniChem
Article
PubMed
 5.63E+7n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
PON activities were measured in the presence of different drug concentrations. Control activity was assumed to be 100% in the absence of inhibitor. E...

J Enzyme Inhib Med Chem 28: 758-64 (2013)


Article DOI: 10.3109/14756366.2012.681653
BindingDB Entry DOI: 10.7270/Q25B01CZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%