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Compile Data Set for Download or QSAR

Found 199 hits with Last Name = 'al-masri' and Initial = 'm'   
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
Aminopeptidase N


(Homo sapiens)
BDBM50353018
PNG
(CHEMBL1821980 | CHEMBL1852660)
Show SMILES NC1CCc2c(Br)ccc(-c3ccccc3)c2CC1=O
Show InChI InChI=1S/C17H16BrNO/c18-15-8-6-12(11-4-2-1-3-5-11)14-10-17(20)16(19)9-7-13(14)15/h1-6,8,16H,7,9-10,19H2
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0.0600n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of human APN


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105574
PNG
(CHEMBL3597443)
Show SMILES NC1CCc2cccc(-c3ccc(Cl)cc3)c2CC1=O
Show InChI InChI=1S/C17H16ClNO.ClH/c18-13-7-4-12(5-8-13)14-3-1-2-11-6-9-16(19)17(20)10-15(11)14;/h1-5,7-8,16H,6,9-10,19H2;1H
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2n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105625
PNG
(CHEMBL3597456)
Show SMILES NC1CCc2cccc(-c3ccncc3)c2CC1=O
Show InChI InChI=1S/C16H16N2O.ClH/c17-15-5-4-11-2-1-3-13(14(11)10-16(15)19)12-6-8-18-9-7-12;/h1-3,6-9,15H,4-5,10,17H2;1H
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3n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105723
PNG
(CHEMBL3597460)
Show SMILES NC1CCc2cccc(c2CC1=O)-c1ccncc1F
Show InChI InChI=1S/C16H15FN2O.ClH/c17-14-9-19-7-6-12(14)11-3-1-2-10-4-5-15(18)16(20)8-13(10)11;/h1-3,6-7,9,15H,4-5,8,18H2;1H
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6n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105573
PNG
(CHEMBL3597442)
Show SMILES NC1CCc2cccc(-c3ccc(F)cc3)c2CC1=O
Show InChI InChI=1S/C17H16FNO.ClH/c18-13-7-4-12(5-8-13)14-3-1-2-11-6-9-16(19)17(20)10-15(11)14;/h1-5,7-8,16H,6,9-10,19H2;1H
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6n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50353016
PNG
(CHEMBL1821978)
Show SMILES NC1CCc2cccc(c2CC1=O)-c1ccccc1
Show InChI InChI=1S/C17H17NO/c18-16-10-9-13-7-4-8-14(15(13)11-17(16)19)12-5-2-1-3-6-12/h1-8,16H,9-11,18H2
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7n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105482
PNG
(CHEMBL3597441)
Show SMILES Cl.Cc1ccc(cc1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C18H19NO.ClH/c1-12-5-7-14(8-6-12)15-4-2-3-13-9-10-17(19)18(20)11-16(13)15;/h2-8,17H,9-11,19H2,1H3;1H
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8n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105581
PNG
(CHEMBL3597449)
Show SMILES NC1CCc2cccc(-c3cccc(c3)C(N)=O)c2CC1=O
Show InChI InChI=1S/C18H18N2O2.ClH/c19-16-8-7-11-3-2-6-14(15(11)10-17(16)21)12-4-1-5-13(9-12)18(20)22;/h1-6,9,16H,7-8,10,19H2,(H2,20,22);1H
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10n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105790
PNG
(CHEMBL3597464)
Show SMILES NC1CCc2cccc(-c3ccc(N)nc3)c2CC1=O
Show InChI InChI=1S/C16H17N3O.ClH/c17-14-6-4-10-2-1-3-12(13(10)8-15(14)20)11-5-7-16(18)19-9-11;/h1-3,5,7,9,14H,4,6,8,17H2,(H2,18,19);1H
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10n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105789
PNG
(CHEMBL3597463)
Show SMILES COc1ccc(cn1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C17H18N2O2.ClH/c1-21-17-8-6-12(10-19-17)13-4-2-3-11-5-7-15(18)16(20)9-14(11)13;/h2-4,6,8,10,15H,5,7,9,18H2,1H3;1H
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10n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105769
PNG
(CHEMBL3597461)
Show SMILES Cl.NC1CCc2cccc(-c3cccnc3)c2CC1=O
Show InChI InChI=1S/C16H16N2O.ClH/c17-15-7-6-11-3-1-5-13(14(11)9-16(15)19)12-4-2-8-18-10-12;/h1-5,8,10,15H,6-7,9,17H2;1H
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18n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50353013
PNG
(CHEMBL1821975)
Show SMILES NC1CCc2c(Br)cccc2CC1=O
Show InChI InChI=1S/C11H12BrNO/c12-9-3-1-2-7-6-11(14)10(13)5-4-8(7)9/h1-3,10H,4-6,13H2
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19n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105575
PNG
(CHEMBL3597444)
Show SMILES COc1ccc(cc1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C18H19NO2.ClH/c1-21-14-8-5-13(6-9-14)15-4-2-3-12-7-10-17(19)18(20)11-16(12)15;/h2-6,8-9,17H,7,10-11,19H2,1H3;1H
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22n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105576
PNG
(CHEMBL3597445)
Show SMILES NC1CCc2cccc(-c3ccc(cc3)C#N)c2CC1=O
Show InChI InChI=1S/C18H16N2O.ClH/c19-11-12-4-6-14(7-5-12)15-3-1-2-13-8-9-17(20)18(21)10-16(13)15;/h1-7,17H,8-10,20H2;1H
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27n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105582
PNG
(CHEMBL3597450)
Show SMILES NC1CCc2cccc(-c3cccc(c3)C(=O)NC3CC3)c2CC1=O
Show InChI InChI=1S/C21H22N2O2.ClH/c22-19-10-7-13-3-2-6-17(18(13)12-20(19)24)14-4-1-5-15(11-14)21(25)23-16-8-9-16;/h1-6,11,16,19H,7-10,12,22H2,(H,23,25);1H
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32n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105626
PNG
(CHEMBL3597457)
Show SMILES Cc1cc(ccn1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C17H18N2O.ClH/c1-11-9-13(7-8-19-11)14-4-2-3-12-5-6-16(18)17(20)10-15(12)14;/h2-4,7-9,16H,5-6,10,18H2,1H3;1H
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33n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105622
PNG
(CHEMBL3597453)
Show SMILES NC1CCc2cccc(-c3ccco3)c2CC1=O
Show InChI InChI=1S/C15H15NO2.ClH/c16-13-7-6-10-3-1-4-11(12(10)9-14(13)17)15-5-2-8-18-15;/h1-5,8,13H,6-7,9,16H2;1H
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35n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50353015
PNG
(CHEMBL1821977)
Show SMILES NC1CCc2cccc(Br)c2CC1=O
Show InChI InChI=1S/C11H12BrNO/c12-9-3-1-2-7-4-5-10(13)11(14)6-8(7)9/h1-3,10H,4-6,13H2
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40n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105793
PNG
(CHEMBL3597467)
Show SMILES NC1CCc2cccc(-c3cnc(N)nc3)c2CC1=O
Show InChI InChI=1S/C15H16N4O.ClH/c16-13-5-4-9-2-1-3-11(12(9)6-14(13)20)10-7-18-15(17)19-8-10;/h1-3,7-8,13H,4-6,16H2,(H2,17,18,19);1H
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45n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105577
PNG
(CHEMBL3597446)
Show SMILES NC1CCc2cccc(-c3cccc(c3)[N+]([O-])=O)c2CC1=O
Show InChI InChI=1S/C17H16N2O3.ClH/c18-16-8-7-11-3-2-6-14(15(11)10-17(16)20)12-4-1-5-13(9-12)19(21)22;/h1-6,9,16H,7-8,10,18H2;1H
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55n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105792
PNG
(CHEMBL3597466)
Show SMILES NC1CCc2cccc(-c3cncnc3)c2CC1=O
Show InChI InChI=1S/C15H15N3O.ClH/c16-14-5-4-10-2-1-3-12(13(10)6-15(14)19)11-7-17-9-18-8-11;/h1-3,7-9,14H,4-6,16H2;1H
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60n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105624
PNG
(CHEMBL3597455)
Show SMILES Cn1nc(cc1-c1cccc2CCC(N)C(=O)Cc12)C(F)(F)F
Show InChI InChI=1S/C16H16F3N3O.ClH/c1-22-13(8-15(21-22)16(17,18)19)10-4-2-3-9-5-6-12(20)14(23)7-11(9)10;/h2-4,8,12H,5-7,20H2,1H3;1H
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69n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105788
PNG
(CHEMBL3597462)
Show SMILES Cc1ccc(cn1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C17H18N2O.ClH/c1-11-5-6-13(10-19-11)14-4-2-3-12-7-8-16(18)17(20)9-15(12)14;/h2-6,10,16H,7-9,18H2,1H3;1H
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74n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105580
PNG
(CHEMBL3597448)
Show SMILES NC1CCc2cccc(c2CC1=O)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C17H18N2O3S.ClH/c18-16-8-7-11-3-2-6-14(15(11)10-17(16)20)12-4-1-5-13(9-12)23(19,21)22;/h1-6,9,16H,7-8,10,18H2,(H2,19,21,22);1H
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78n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50353012
PNG
(CHEMBL1821974)
Show SMILES NC1CCc2c(Cl)cccc2CC1=O
Show InChI InChI=1S/C11H12ClNO/c12-9-3-1-2-7-6-11(14)10(13)5-4-8(7)9/h1-3,10H,4-6,13H2
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88n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105623
PNG
(CHEMBL3597454)
Show SMILES Cn1cc(cn1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C15H17N3O.ClH/c1-18-9-11(8-17-18)12-4-2-3-10-5-6-14(16)15(19)7-13(10)12;/h2-4,8-9,14H,5-7,16H2,1H3;1H
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100n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105628
PNG
(CHEMBL3597459)
Show SMILES NC1CCc2cccc(-c3ccnc(F)c3)c2CC1=O
Show InChI InChI=1S/C16H15FN2O.ClH/c17-16-8-11(6-7-19-16)12-3-1-2-10-4-5-14(18)15(20)9-13(10)12;/h1-3,6-8,14H,4-5,9,18H2;1H
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123n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105578
PNG
(CHEMBL3596210)
Show SMILES COc1cccc(c1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C18H19NO2.ClH/c1-21-14-6-2-5-13(10-14)15-7-3-4-12-8-9-17(19)18(20)11-16(12)15;/h2-7,10,17H,8-9,11,19H2,1H3;1H
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130n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105627
PNG
(CHEMBL3597458)
Show SMILES COc1cc(ccn1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C17H18N2O2.ClH/c1-21-17-9-12(7-8-19-17)13-4-2-3-11-5-6-15(18)16(20)10-14(11)13;/h2-4,7-9,15H,5-6,10,18H2,1H3;1H
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160n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50353014
PNG
(CHEMBL1821976)
Show SMILES NC1CCc2c(CC1=O)cccc2-c1ccccc1
Show InChI InChI=1S/C17H17NO/c18-16-10-9-15-13(11-17(16)19)7-4-8-14(15)12-5-2-1-3-6-12/h1-8,16H,9-11,18H2
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250n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105361
PNG
(CHEMBL3597436)
Show SMILES NC1CCc2c(CC1=O)cccc2-c1ccco1
Show InChI InChI=1S/C15H15NO2.ClH/c16-13-7-6-11-10(9-14(13)17)3-1-4-12(11)15-5-2-8-18-15;/h1-5,8,13H,6-7,9,16H2;1H
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400n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105364
PNG
(CHEMBL3597439)
Show SMILES COc1ccc(cn1)-c1cccc2CC(=O)C(N)CCc12
Show InChI InChI=1S/C17H18N2O2.ClH/c1-21-17-8-5-12(10-19-17)13-4-2-3-11-9-16(20)15(18)7-6-14(11)13;/h2-5,8,10,15H,6-7,9,18H2,1H3;1H
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450n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105363
PNG
(CHEMBL3597438)
Show SMILES NC1CCc2c(CC1=O)cccc2-c1cccnc1
Show InChI InChI=1S/C16H16N2O.ClH/c17-15-7-6-14-11(9-16(15)19)3-1-5-13(14)12-4-2-8-18-10-12;/h1-5,8,10,15H,6-7,9,17H2;1H
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470n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105791
PNG
(CHEMBL3597465)
Show SMILES COc1ncccc1-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C17H18N2O2.ClH/c1-21-17-13(6-3-9-19-17)12-5-2-4-11-7-8-15(18)16(20)10-14(11)12;/h2-6,9,15H,7-8,10,18H2,1H3;1H
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1.30E+3n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105362
PNG
(CHEMBL3597437)
Show SMILES Cn1cc(cn1)-c1cccc2CC(=O)C(N)CCc12
Show InChI InChI=1S/C15H17N3O.ClH/c1-18-9-11(8-17-18)12-4-2-3-10-7-15(19)14(16)6-5-13(10)12;/h2-4,8-9,14H,5-7,16H2,1H3;1H
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1.30E+3n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105579
PNG
(CHEMBL3597447)
Show SMILES NC1CCc2cccc(-c3cccc(c3)N3CCOCC3)c2CC1=O
Show InChI InChI=1S/C21H24N2O2.ClH/c22-20-8-7-15-3-2-6-18(19(15)14-21(20)24)16-4-1-5-17(13-16)23-9-11-25-12-10-23;/h1-6,13,20H,7-12,14,22H2;1H
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1.35E+3n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105583
PNG
(CHEMBL3597451)
Show SMILES COc1ccccc1-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C18H19NO2.ClH/c1-21-18-8-3-2-6-14(18)13-7-4-5-12-9-10-16(19)17(20)11-15(12)13;/h2-8,16H,9-11,19H2,1H3;1H
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1.70E+3n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105594
PNG
(CHEMBL3597452)
Show SMILES Cl.COc1cc(cc(OC)c1OC)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C20H23NO4.ClH/c1-23-18-9-13(10-19(24-2)20(18)25-3)14-6-4-5-12-7-8-16(21)17(22)11-15(12)14;/h4-6,9-10,16H,7-8,11,21H2,1-3H3;1H
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105475
PNG
(CHEMBL3597440)
Show SMILES Cl.NC1CCc2c(CC1=O)cccc2-c1cnc(N)nc1
Show InChI InChI=1S/C15H16N4O.ClH/c16-13-5-4-12-9(6-14(13)20)2-1-3-11(12)10-7-18-15(17)19-8-10;/h1-3,7-8,13H,4-6,16H2,(H2,17,18,19);1H
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4.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric ana...


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Bacterial leucyl aminopeptidase


(Vibrio proteolyticus)
BDBM50105577
PNG
(CHEMBL3597446)
Show SMILES NC1CCc2cccc(-c3cccc(c3)[N+]([O-])=O)c2CC1=O
Show InChI InChI=1S/C17H16N2O3.ClH/c18-16-8-7-11-3-2-6-14(15(11)10-17(16)20)12-4-1-5-13(9-12)19(21)22;/h1-6,9,16H,7-8,10,18H2;1H
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3.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of aeromonas proteolytica aminopeptidase


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Leucine aminopeptidase


(Homo sapiens)
BDBM50105577
PNG
(CHEMBL3597446)
Show SMILES NC1CCc2cccc(-c3cccc(c3)[N+]([O-])=O)c2CC1=O
Show InChI InChI=1S/C17H16N2O3.ClH/c18-16-8-7-11-3-2-6-14(15(11)10-17(16)20)12-4-1-5-13(9-12)19(21)22;/h1-6,9,16H,7-8,10,18H2;1H
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3.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of cytosolic leucine aminopeptidase (unknown origin)


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Leucine aminopeptidase


(Homo sapiens)
BDBM50105576
PNG
(CHEMBL3597445)
Show SMILES NC1CCc2cccc(-c3ccc(cc3)C#N)c2CC1=O
Show InChI InChI=1S/C18H16N2O.ClH/c19-11-12-4-6-14(7-5-12)15-3-1-2-13-8-9-17(20)18(21)10-16(13)15;/h1-7,17H,8-10,20H2;1H
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3.50E+4n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of cytosolic leucine aminopeptidase (unknown origin)


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Bacterial leucyl aminopeptidase


(Vibrio proteolyticus)
BDBM50105576
PNG
(CHEMBL3597445)
Show SMILES NC1CCc2cccc(-c3ccc(cc3)C#N)c2CC1=O
Show InChI InChI=1S/C18H16N2O.ClH/c19-11-12-4-6-14(7-5-12)15-3-1-2-13-8-9-17(20)18(21)10-16(13)15;/h1-7,17H,8-10,20H2;1H
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3.50E+4n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of aeromonas proteolytica aminopeptidase


Bioorg Med Chem 23: 3192-207 (2015)


Article DOI: 10.1016/j.bmc.2015.04.066
BindingDB Entry DOI: 10.7270/Q2Z321DW
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8349
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 13 | CHEMB...)
Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Br
Show InChI InChI=1S/C16H13BrN4O2/c17-12-7-11-14(18-13(12)8-3-5-10(22)6-4-8)20-21-15(11)19-16(23)9-1-2-9/h3-7,9,22H,1-2H2,(H2,18,19,20,21,23)
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n/an/a 0.800n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8359
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 23 | N-[5-...)
Show SMILES CN1CCC(CC1)C(=O)Nc1n[nH]c2nc(c(Br)cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C19H20BrN5O2/c1-25-8-6-12(7-9-25)19(27)22-18-14-10-15(20)16(21-17(14)23-24-18)11-2-4-13(26)5-3-11/h2-5,10,12,26H,6-9H2,1H3,(H2,21,22,23,24,27)
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n/an/a 1n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8350
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 14 | N-[5-...)
Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Cl
Show InChI InChI=1S/C16H13ClN4O2/c17-12-7-11-14(18-13(12)8-3-5-10(22)6-4-8)20-21-15(11)19-16(23)9-1-2-9/h3-7,9,22H,1-2H2,(H2,18,19,20,21,23)
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n/an/a 1n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8357
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 21 | CHEMB...)
Show SMILES CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(c(Br)cc23)-c2ccc(O)cc2)CC1
Show InChI InChI=1S/C22H27BrN6O2/c1-2-28-10-12-29(13-11-28)9-3-4-19(31)24-21-17-14-18(23)20(25-22(17)27-26-21)15-5-7-16(30)8-6-15/h5-8,14,30H,2-4,9-13H2,1H3,(H2,24,25,26,27,31)
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n/an/a 4n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8332
PNG
(4-(morpholin-4-yl)-N-{5-phenyl-1H-pyrazolo[3,4-c]p...)
Show SMILES O=C(CCCN1CCOCC1)Nc1n[nH]c2nnc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H22N6O2/c26-17(7-4-8-25-9-11-27-12-10-25)20-18-15-13-16(14-5-2-1-3-6-14)21-23-19(15)24-22-18/h1-3,5-6,13H,4,7-12H2,(H2,20,22,23,24,26)
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n/an/a 5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8364
PNG
(CHEMBL260416 | N-[6-(3-bromo-4-hydroxyphenyl)-1H-p...)
Show SMILES Oc1ccc(cc1Br)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
Show InChI InChI=1S/C16H13BrN4O2/c17-11-7-9(3-6-13(11)22)12-5-4-10-14(18-12)20-21-15(10)19-16(23)8-1-2-8/h3-8,22H,1-2H2,(H2,18,19,20,21,23)
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n/an/a 5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8334
PNG
(5-(4-ethylpiperazin-1-yl)-N-{5-phenyl-1H-pyrazolo[...)
Show SMILES CCN1CCN(CCCCC(=O)Nc2n[nH]c3nnc(cc23)-c2ccccc2)CC1
Show InChI InChI=1S/C22H29N7O/c1-2-28-12-14-29(15-13-28)11-7-6-10-20(30)23-21-18-16-19(17-8-4-3-5-9-17)24-26-22(18)27-25-21/h3-5,8-9,16H,2,6-7,10-15H2,1H3,(H2,23,25,26,27,30)
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n/an/a 5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
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