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Compile Data Set for Download or QSAR

Found 479 hits with Last Name = 'schmitt' and Initial = 'c'   
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
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50511450
PNG
(CHEMBL4436749)
Show SMILES CC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C
Show InChI InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)
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0.00200n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for...


ACS Med Chem Lett 11: 358-364 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00420
BindingDB Entry DOI: 10.7270/Q2PV6PPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))
BDBM50511450
PNG
(CHEMBL4436749)
Show SMILES CC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C
Show InChI InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)
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0.00200n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for...


ACS Med Chem Lett 11: 358-364 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00420
BindingDB Entry DOI: 10.7270/Q2PV6PPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aminopeptidase N


(Homo sapiens (Human))
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))
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 porcine kidney APN using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis


Bioorg Med Chem 19: 5716-33 (2011)


Article DOI: 10.1016/j.bmc.2011.06.089
BindingDB Entry DOI: 10.7270/Q2805307
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
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 pig APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis


Bioorg Med Chem 21: 2135-44 (2013)


Article DOI: 10.1016/j.bmc.2012.12.038
BindingDB Entry DOI: 10.7270/Q2CZ38J9
More data for this
Ligand-Target Pair
Aminopeptidase N


(Mus musculus)
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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0.200n/an/an/an/an/an/an/an/a



Universit£ de Haute-Alsace

Curated by ChEMBL


Assay Description
Inhibition of mouse APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis


Bioorg Med Chem 21: 2135-44 (2013)


Article DOI: 10.1016/j.bmc.2012.12.038
BindingDB Entry DOI: 10.7270/Q2CZ38J9
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
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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0.350n/an/an/an/an/an/an/an/a



Universit£ de Haute-Alsace

Curated by ChEMBL


Assay Description
Inhibition of human APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis


Bioorg Med Chem 21: 2135-44 (2013)


Article DOI: 10.1016/j.bmc.2012.12.038
BindingDB Entry DOI: 10.7270/Q2CZ38J9
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105574
PNG
(CHEMBL3597443)
Show SMILES Cl.NC1CCc2cccc(-c3ccc(Cl)cc3)c2CC1=O
Show InChI InChI=1S/C17H16ClNO/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
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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 Cl.NC1CCc2cccc(-c3ccncc3)c2CC1=O
Show InChI InChI=1S/C16H16N2O/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
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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
Genome polyprotein


(Hepatitis C virus)
BDBM50125472
PNG
(4-[2-carboxy-1-methylcarboxamido-(1S)-ethylcarboxa...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)B1OC2CC3CC(C3(C)C)[C@@]2(C)O1
Show InChI InChI=1S/C40H63BN6O12/c1-10-12-29(41-58-28-18-23-17-27(39(23,7)8)40(28,9)59-41)44-36(55)26-13-11-16-47(26)38(57)33(21(4)5)46-37(56)32(20(2)3)45-34(53)24(14-15-30(49)50)43-35(54)25(19-31(51)52)42-22(6)48/h10,20-21,23-29,32-33H,1,11-19H2,2-9H3,(H,42,48)(H,43,54)(H,44,55)(H,45,53)(H,46,56)(H,49,50)(H,51,52)/t23?,24-,25-,26-,27?,28?,29-,32-,33-,40+/m0/s1
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined


Bioorg Med Chem Lett 13: 1157-60 (2003)


BindingDB Entry DOI: 10.7270/Q20R9NSS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105573
PNG
(CHEMBL3597442)
Show SMILES Cl.NC1CCc2cccc(-c3ccc(F)cc3)c2CC1=O
Show InChI InChI=1S/C17H16FNO/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
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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))
BDBM50353019
PNG
(CHEMBL1821981)
Show SMILES NC1CCc2c(Br)ccc(Br)c2CC1=O
Show InChI InChI=1S/C11H11Br2NO/c12-8-2-3-9(13)7-5-11(15)10(14)4-1-6(7)8/h2-3,10H,1,4-5,14H2
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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 using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis


Bioorg Med Chem 19: 5716-33 (2011)


Article DOI: 10.1016/j.bmc.2011.06.089
BindingDB Entry DOI: 10.7270/Q2805307
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105723
PNG
(CHEMBL3597460)
Show SMILES Cl.NC1CCc2cccc(c2CC1=O)-c1ccncc1F
Show InChI InChI=1S/C16H15FN2O/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
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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 using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis


Bioorg Med Chem 19: 5716-33 (2011)


Article DOI: 10.1016/j.bmc.2011.06.089
BindingDB Entry DOI: 10.7270/Q2805307
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 pig APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis


Bioorg Med Chem 21: 2135-44 (2013)


Article DOI: 10.1016/j.bmc.2012.12.038
BindingDB Entry DOI: 10.7270/Q2CZ38J9
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


(Mus musculus)
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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10n/an/an/an/an/an/an/an/a



Universit£ de Haute-Alsace

Curated by ChEMBL


Assay Description
Inhibition of mouse APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis


Bioorg Med Chem 21: 2135-44 (2013)


Article DOI: 10.1016/j.bmc.2012.12.038
BindingDB Entry DOI: 10.7270/Q2CZ38J9
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105790
PNG
(CHEMBL3597464)
Show SMILES Cl.NC1CCc2cccc(-c3ccc(N)nc3)c2CC1=O
Show InChI InChI=1S/C16H17N3O/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)
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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))
BDBM50105581
PNG
(CHEMBL3597449)
Show SMILES Cl.NC1CCc2cccc(-c3cccc(c3)C(N)=O)c2CC1=O
Show InChI InChI=1S/C18H18N2O2/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)
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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 Cl.COc1ccc(cn1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C17H18N2O2/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
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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


(Homo sapiens (Human))
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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11n/an/an/an/an/an/an/an/a



Universit£ de Haute-Alsace

Curated by ChEMBL


Assay Description
Inhibition of human APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis


Bioorg Med Chem 21: 2135-44 (2013)


Article DOI: 10.1016/j.bmc.2012.12.038
BindingDB Entry DOI: 10.7270/Q2CZ38J9
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))
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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20n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis


Bioorg Med Chem 19: 5716-33 (2011)


Article DOI: 10.1016/j.bmc.2011.06.089
BindingDB Entry DOI: 10.7270/Q2805307
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105575
PNG
(CHEMBL3597444)
Show SMILES Cl.COc1ccc(cc1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C18H19NO2/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
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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 Cl.NC1CCc2cccc(-c3ccc(cc3)C#N)c2CC1=O
Show InChI InChI=1S/C18H16N2O/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
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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 Cl.NC1CCc2cccc(-c3cccc(c3)C(=O)NC3CC3)c2CC1=O
Show InChI InChI=1S/C21H22N2O2/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)
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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 Cl.Cc1cc(ccn1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C17H18N2O/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
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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 Cl.NC1CCc2cccc(-c3ccco3)c2CC1=O
Show InChI InChI=1S/C15H15NO2/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
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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 using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis


Bioorg Med Chem 19: 5716-33 (2011)


Article DOI: 10.1016/j.bmc.2011.06.089
BindingDB Entry DOI: 10.7270/Q2805307
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))
BDBM50353020
PNG
(CHEMBL1821982)
Show SMILES NC1CCc2c(CC1=O)c(ccc2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H21NO/c24-22-14-13-20-18(16-7-3-1-4-8-16)11-12-19(21(20)15-23(22)25)17-9-5-2-6-10-17/h1-12,22H,13-15,24H2
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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 using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis


Bioorg Med Chem 19: 5716-33 (2011)


Article DOI: 10.1016/j.bmc.2011.06.089
BindingDB Entry DOI: 10.7270/Q2805307
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50353022
PNG
(CHEMBL1821984)
Show SMILES NC1CCc2c(CC1=O)ccc1ccccc21
Show InChI InChI=1S/C15H15NO/c16-14-8-7-13-11(9-15(14)17)6-5-10-3-1-2-4-12(10)13/h1-6,14H,7-9,16H2
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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 using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis


Bioorg Med Chem 19: 5716-33 (2011)


Article DOI: 10.1016/j.bmc.2011.06.089
BindingDB Entry DOI: 10.7270/Q2805307
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105793
PNG
(CHEMBL3597467)
Show SMILES Cl.NC1CCc2cccc(-c3cnc(N)nc3)c2CC1=O
Show InChI InChI=1S/C15H16N4O/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)
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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 Cl.NC1CCc2cccc(-c3cccc(c3)[N+]([O-])=O)c2CC1=O
Show InChI InChI=1S/C17H16N2O3/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
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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 Cl.NC1CCc2cccc(-c3cncnc3)c2CC1=O
Show InChI InChI=1S/C15H15N3O/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
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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 Cl.Cn1nc(cc1-c1cccc2CCC(N)C(=O)Cc12)C(F)(F)F
Show InChI InChI=1S/C16H16F3N3O/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
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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))
BDBM50353017
PNG
(CHEMBL1821979)
Show SMILES NC1CCc2c(CC1=O)c(Br)ccc2-c1ccccc1
Show InChI InChI=1S/C17H16BrNO/c18-15-8-6-12(11-4-2-1-3-5-11)13-7-9-16(19)17(20)10-14(13)15/h1-6,8,16H,7,9-10,19H2
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70n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis


Bioorg Med Chem 19: 5716-33 (2011)


Article DOI: 10.1016/j.bmc.2011.06.089
BindingDB Entry DOI: 10.7270/Q2805307
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105788
PNG
(CHEMBL3597462)
Show SMILES Cl.Cc1ccc(cn1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C17H18N2O/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
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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 Cl.NC1CCc2cccc(c2CC1=O)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C17H18N2O3S/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)
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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))
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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90n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis


Bioorg Med Chem 19: 5716-33 (2011)


Article DOI: 10.1016/j.bmc.2011.06.089
BindingDB Entry DOI: 10.7270/Q2805307
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50353021
PNG
(CHEMBL1821983)
Show SMILES NC1CCc2ccc3ccccc3c2CC1=O
Show InChI InChI=1S/C15H15NO/c16-14-8-7-11-6-5-10-3-1-2-4-12(10)13(11)9-15(14)17/h1-6,14H,7-9,16H2
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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 using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis


Bioorg Med Chem 19: 5716-33 (2011)


Article DOI: 10.1016/j.bmc.2011.06.089
BindingDB Entry DOI: 10.7270/Q2805307
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50105623
PNG
(CHEMBL3597454)
Show SMILES Cl.Cn1cc(cn1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C15H17N3O/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
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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 Cl.NC1CCc2cccc(-c3ccnc(F)c3)c2CC1=O
Show InChI InChI=1S/C16H15FN2O/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
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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 Cl.COc1cccc(c1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C18H19NO2/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
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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 Cl.COc1cc(ccn1)-c1cccc2CCC(N)C(=O)Cc12
Show InChI InChI=1S/C17H18N2O2/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
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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))
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 using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis


Bioorg Med Chem 19: 5716-33 (2011)


Article DOI: 10.1016/j.bmc.2011.06.089
BindingDB Entry DOI: 10.7270/Q2805307
More data for this
Ligand-Target Pair
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