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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50002352   
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


(Sus scrofa (Pig))		BDBM50457465
PNG
(CHEMBL4204736)
Show SMILES CC(N)P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C22H29N2O5P/c1-16(23)30(28,29)15-19(13-17-9-5-3-6-10-17)20(25)24-22(2,21(26)27)14-18-11-7-4-8-12-18/h3-12,16,19H,13-15,23H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/t16?,19-,22+/m1/s1
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 0.600n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN in porcine kidney using Ala-p-NA as substrate

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50457475
PNG
(CHEMBL4216408)
Show SMILES C[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)CP(O)(=O)C(N)Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C28H33N2O5P/c1-28(27(32)33,19-23-15-9-4-10-16-23)30-26(31)24(17-21-11-5-2-6-12-21)20-36(34,35)25(29)18-22-13-7-3-8-14-22/h2-16,24-25H,17-20,29H2,1H3,(H,30,31)(H,32,33)(H,34,35)/t24-,25?,28+/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN in porcine kidney using Ala-p-NA as substrate

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50457479
PNG
(CHEMBL1159812)
Show SMILES CSCCC(N)CS
Show InChI InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3
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 8n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN in human placenta using AlabetaNA as substrate

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50457482
PNG
(CHEMBL4217064)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(S)C(N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8?,9-,12-,13?/m0/s1
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 13n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APA (unknown origin) using GlubetaNA as substrate after 30 mins

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50457485
PNG
(CHEMBL4205440)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C26H38N4O6/c1-16(2)14-19(28-23(32)22(31)18(27)15-17-8-4-3-5-9-17)24(33)29-12-6-10-20(29)25(34)30-13-7-11-21(30)26(35)36/h3-5,8-9,16,18-22,31H,6-7,10-15,27H2,1-2H3,(H,28,32)(H,35,36)/t18-,19-,20-,21-,22+/m0/s1
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 19n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Competitive inhibition of aminopeptidase-M (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50457467
PNG
(CHEMBL4217873)
Show SMILES CC(C)C[C@H](N)[C@@H](O)C(=O)N[C@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H38N4O8/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33)/t12-,13+,15+,16+,17+/m0/s1
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 19n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Competitive inhibition of aminopeptidase-M (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50457477
PNG
(CHEMBL4210855)
Show SMILES NC1Cc2ccc3ccccc3c2CC1=O
Show InChI InChI=1S/C14H13NO/c15-13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14(13)16/h1-6,13H,7-8,15H2
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 20n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase-M (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Cytosol aminopeptidase [435-519]


(Sus scrofa)		BDBM50022748
PNG
(2-Amino-4-methyl-pentane-1-thiol | CHEMBL69349)
Show SMILES CC(C)C[C@@H](N)CS
Show InChI InChI=1S/C6H15NS/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1
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 22n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Competitive inhibition of LAP in porcine kidney microsomes

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50036969
PNG
((S)-2-Amino-pentane-1,5-dithiol | CHEMBL101771)
Show SMILES N[C@H](CS)CCCS
Show InChI InChI=1S/C5H13NS2/c6-5(4-8)2-1-3-7/h5,7-8H,1-4,6H2/t5-/m0/s1
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 32n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of hog kidney APN using [3H]Tyr1-Leu5-enkephalin as substrate preincubated for 15 mins followed by substrate addition measured after 15 mi...

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50036827
PNG
(CHEMBL27040 | [4-(2-Amino-3-mercapto-propyl)-cyclo...)
Show SMILES NC(CS)CC1CCC(CC(O)=O)CC1 |(.78,-9.51,;.77,-7.97,;-.58,-7.2,;-1.91,-7.99,;2.1,-7.19,;3.43,-7.94,;3.43,-9.48,;4.76,-10.25,;6.11,-9.46,;7.44,-10.23,;8.77,-9.44,;10.11,-10.21,;8.76,-7.9,;6.1,-7.92,;4.75,-7.15,)|
Show InChI InChI=1S/C11H21NO2S/c12-10(7-15)5-8-1-3-9(4-2-8)6-11(13)14/h8-10,15H,1-7,12H2,(H,13,14)
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 35n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of hog kidney APN using [3H]Tyr1-Leu5-enkephalin as substrate preincubated for 15 mins followed by substrate addition measured after 15 mi...

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50190112
PNG
(CHEMBL88808)
Show SMILES NC(CCc1ccccc1)P(O)(=O)CC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C19H24NO5P/c20-18(11-8-14-4-2-1-3-5-14)26(24,25)13-16(19(22)23)12-15-6-9-17(21)10-7-15/h1-7,9-10,16,18,21H,8,11-13,20H2,(H,22,23)(H,24,25)
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 36n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN in porcine kidney using L-leucine p-nitroanilide as substrate preincubated for 60 mins followed by substrate addition measured afte...

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50036968
PNG
((S)-5-Amino-6-mercapto-hexanoic acid hydroxyamide ...)
Show SMILES N[C@H](CS)CCCC(=O)NO
Show InChI InChI=1S/C6H14N2O2S/c7-5(4-11)2-1-3-6(9)8-10/h5,10-11H,1-4,7H2,(H,8,9)/t5-/m0/s1
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 37n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of hog kidney APN using [3H]Tyr1-Leu5-enkephalin as substrate preincubated for 15 mins followed by substrate addition measured after 15 mi...

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(Homo sapiens (Human))		BDBM50457478
PNG
(CHEMBL4208547)
Show SMILES CC1(C)OB(OC1(C)C)C(N)Cc1ccccc1
Show InChI InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)12(16)10-11-8-6-5-7-9-11/h5-9,12H,10,16H2,1-4H3
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 50n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of LAP (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50190112
PNG
(CHEMBL88808)
Show SMILES NC(CCc1ccccc1)P(O)(=O)CC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C19H24NO5P/c20-18(11-8-14-4-2-1-3-5-14)26(24,25)13-16(19(22)23)12-15-6-9-17(21)10-7-15/h1-7,9-10,16,18,21H,8,11-13,20H2,(H,22,23)(H,24,25)
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 67n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APA (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50457476
PNG
(CHEMBL4215801)
Show SMILES NC1Cc2ccc3ccccc3c2C(CCc2ccccc2)C1=O
Show InChI InChI=1S/C22H21NO/c23-20-14-17-12-11-16-8-4-5-9-18(16)21(17)19(22(20)24)13-10-15-6-2-1-3-7-15/h1-9,11-12,19-20H,10,13-14,23H2
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 80n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase-M (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50036824
PNG
((S)-3-Carboxy-1-mercaptomethyl-propyl-ammonium | (...)
Show SMILES N[C@H](CS)CCC(O)=O
Show InChI InChI=1S/C5H11NO2S/c6-4(3-9)1-2-5(7)8/h4,9H,1-3,6H2,(H,7,8)/t4-/m0/s1
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 120n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of hog kidney APN using [3H]Tyr1-Leu5-enkephalin as substrate preincubated for 15 mins followed by substrate addition measured after 15 mi...

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50121710
PNG
(2-(2,6-Diethyl-phenyl)-4H-isoquinoline-1,3-dione |...)
Show SMILES CCc1cccc(CC)c1-n1c(O)cc2ccccc2c1=O |(6.7,5.02,;6.72,3.48,;8.06,2.72,;9.38,3.49,;10.73,2.73,;10.73,1.19,;9.4,.41,;9.4,-1.13,;10.74,-1.9,;8.07,1.18,;6.74,.41,;6.74,-1.13,;8.08,-1.9,;5.41,-1.9,;4.07,-1.15,;2.74,-1.92,;1.41,-1.15,;1.41,.39,;2.74,1.17,;4.07,.4,;5.4,1.18,;5.4,2.72,)|
Show InChI InChI=1S/C19H19NO2/c1-3-13-9-7-10-14(4-2)18(13)20-17(21)12-15-8-5-6-11-16(15)19(20)22/h5-12,21H,3-4H2,1-2H3
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 120n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50457482
PNG
(CHEMBL4217064)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(S)C(N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8?,9-,12-,13?/m0/s1
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 120n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN in porcine kidney using Ala-betaNA as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by f...

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50457465
PNG
(CHEMBL4204736)
Show SMILES CC(N)P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C22H29N2O5P/c1-16(23)30(28,29)15-19(13-17-9-5-3-6-10-17)20(25)24-22(2,21(26)27)14-18-11-7-4-8-12-18/h3-12,16,19H,13-15,23H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/t16?,19-,22+/m1/s1
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 130n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APA (unknown origin) using GluNA as substrate

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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 170n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Competitive inhibition of aminopeptidase-M (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50036962
PNG
((S)-4-Carboxy-1-mercaptomethyl-butyl-ammonium | (S...)
Show SMILES N[C@H](CS)CCCC(O)=O
Show InChI InChI=1S/C6H13NO2S/c7-5(4-10)2-1-3-6(8)9/h5,10H,1-4,7H2,(H,8,9)/t5-/m0/s1
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 330n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of hog kidney APN using [3H]Tyr1-Leu5-enkephalin as substrate preincubated for 15 mins followed by substrate addition measured after 15 mi...

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50170890
PNG
(CHEMBL3806072)
Show SMILES NC(CNC1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C8H19N2O3P/c9-8(14(11,12)13)6-10-7-4-2-1-3-5-7/h7-8,10H,1-6,9H2,(H2,11,12,13)
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 870n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase-M (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase B


(Rattus norvegicus)		BDBM50457479
PNG
(CHEMBL1159812)
Show SMILES CSCCC(N)CS
Show InChI InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3
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 1.00E+3n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APB in rat testis using ArgbetaNA as substrate

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50457484
PNG
(CHEMBL4206485)
Show SMILES NC1COc2ccccc2CC1=O
Show InChI InChI=1S/C10H11NO2/c11-8-6-13-10-4-2-1-3-7(10)5-9(8)12/h1-4,8H,5-6,11H2
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 1.00E+3n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of pig APN

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50457474
PNG
(CHEMBL4203613)
Show SMILES Cc1ccc(cc1)C(=O)NN\C(=N\S(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccs1)C(F)(F)F)N1CCCC1
Show InChI InChI=1S/C27H25F3N6O3S2/c1-18-6-8-19(9-7-18)25(37)31-32-26(35-14-2-3-15-35)34-41(38,39)21-12-10-20(11-13-21)36-22(23-5-4-16-40-23)17-24(33-36)27(28,29)30/h4-13,16-17H,2-3,14-15H2,1H3,(H,31,37)(H,32,34)
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 1.01E+3n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human APN

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(Homo sapiens (Human))		BDBM50457469
PNG
(CHEMBL4213478)
Show SMILES CC(C)CC(N)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C11H24BNO2/c1-8(2)7-9(13)12-14-10(3,4)11(5,6)15-12/h8-9H,7,13H2,1-6H3
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 1.30E+3n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of LAP (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50457463
PNG
(CHEMBL4073687)
Show SMILES C(=C1\c2ccccc2-c2c1ccc1ccccc21)\c1cc2-c3ccccc3-c3cccc(c1)c23
Show InChI InChI=1S/C34H20/c1-2-10-24-22(8-1)16-17-30-31(27-13-5-6-14-29(27)34(24)30)19-21-18-23-9-7-15-28-25-11-3-4-12-26(25)32(20-21)33(23)28/h1-20H/b31-19+
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 1.63E+3n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of pig APN

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50457474
PNG
(CHEMBL4203613)
Show SMILES Cc1ccc(cc1)C(=O)NN\C(=N\S(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccs1)C(F)(F)F)N1CCCC1
Show InChI InChI=1S/C27H25F3N6O3S2/c1-18-6-8-19(9-7-18)25(37)31-32-26(35-14-2-3-15-35)34-41(38,39)21-12-10-20(11-13-21)36-22(23-5-4-16-40-23)17-24(33-36)27(28,29)30/h4-13,16-17H,2-3,14-15H2,1H3,(H,31,37)(H,32,34)
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 1.95E+3n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of pig APN

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50457481
PNG
(CHEMBL4076523)
Show SMILES N#Cc1cc(Cc2ccc3c(ccc4ccccc34)c2C#N)cc2c1ccc1ccccc21
Show InChI InChI=1S/C31H18N2/c32-18-24-16-20(17-30-26-8-4-2-6-22(26)9-12-27(24)30)15-23-11-14-28-25-7-3-1-5-21(25)10-13-29(28)31(23)19-33/h1-14,16-17H,15H2
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 2.01E+3n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human APN

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50036818
PNG
(CHEMBL282364 | [4-(2-Amino-3-mercapto-propyl)-phen...)
Show SMILES NC(CS)Cc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C11H15NO2S/c12-10(7-15)5-8-1-3-9(4-2-8)6-11(13)14/h1-4,10,15H,5-7,12H2,(H,13,14)
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 2.70E+3n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of hog kidney APN using [3H]Tyr1-Leu5-enkephalin as substrate preincubated for 15 mins followed by substrate addition measured after 15 mi...

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50457481
PNG
(CHEMBL4076523)
Show SMILES N#Cc1cc(Cc2ccc3c(ccc4ccccc34)c2C#N)cc2c1ccc1ccccc21
Show InChI InChI=1S/C31H18N2/c32-18-24-16-20(17-30-26-8-4-2-6-22(26)9-12-27(24)30)15-23-11-14-28-25-7-3-1-5-21(25)10-13-29(28)31(23)19-33/h1-14,16-17H,15H2
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 2.90E+3n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of pig APN

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50457463
PNG
(CHEMBL4073687)
Show SMILES C(=C1\c2ccccc2-c2c1ccc1ccccc21)\c1cc2-c3ccccc3-c3cccc(c1)c23
Show InChI InChI=1S/C34H20/c1-2-10-24-22(8-1)16-17-30-31(27-13-5-6-14-29(27)34(24)30)19-21-18-23-9-7-15-28-25-11-3-4-12-26(25)32(20-21)33(23)28/h1-20H/b31-19+
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 5.95E+3n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human APN

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50036963
PNG
((R)-4-Carboxy-1-mercaptomethyl-butyl-ammonium | (R...)
Show SMILES N[C@@H](CS)CCCC(O)=O
Show InChI InChI=1S/C6H13NO2S/c7-5(4-10)2-1-3-6(8)9/h5,10H,1-4,7H2,(H,8,9)/t5-/m1/s1
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 1.55E+4n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of hog kidney APN using [3H]Tyr1-Leu5-enkephalin as substrate preincubated for 15 mins followed by substrate addition measured after 15 mi...

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50457479
PNG
(CHEMBL1159812)
Show SMILES CSCCC(N)CS
Show InChI InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3
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 1.72E+4n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APA (unknown origin) using GlubetaNA as substrate after 30 mins

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50457475
PNG
(CHEMBL4216408)
Show SMILES C[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)CP(O)(=O)C(N)Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C28H33N2O5P/c1-28(27(32)33,19-23-15-9-4-10-16-23)30-26(31)24(17-21-11-5-2-6-12-21)20-36(34,35)25(29)18-22-13-7-3-8-14-22/h2-16,24-25H,17-20,29H2,1H3,(H,30,31)(H,32,33)(H,34,35)/t24-,25?,28+/m1/s1
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 4.00E+4n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APA (unknown origin) using GluNA as substrate

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50457486
PNG
(CHEMBL4203901)
Show SMILES NC(CCS)CCC(O)=O
Show InChI InChI=1S/C6H13NO2S/c7-5(3-4-10)1-2-6(8)9/h5,10H,1-4,7H2,(H,8,9)
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 4.50E+4n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of hog kidney APN using [3H]Tyr1-Leu5-enkephalin as substrate preincubated for 15 mins followed by substrate addition measured after 15 mi...

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(Homo sapiens (Human))		BDBM50457464
PNG
(CHEMBL4203259)
Show SMILES CC(C)CC(N)P(O)(=O)C(=O)N[C@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C12H25N2O5P/c1-7(2)5-9(11(15)16)14-12(17)20(18,19)10(13)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,17)(H,15,16)(H,18,19)/t9-,10?/m1/s1
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 5.60E+4n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of LAP (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(Homo sapiens (Human))		BDBM50457470
PNG
(CHEMBL4204214)
Show SMILES CC(N)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C8H18BNO2/c1-6(10)9-11-7(2,3)8(4,5)12-9/h6H,10H2,1-5H3
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 9.00E+4n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of LAP (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))		BDBM50457473
PNG
(CHEMBL4209822)
Show SMILES CC(C)C[C@@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C16H22N2O6/c1-9(2)8-11(13(19)15(21)18-24)14(20)17-12(16(22)23)10-6-4-3-5-7-10/h3-7,9,11-13,19,24H,8H2,1-2H3,(H,17,20)(H,18,21)(H,22,23)/t11-,12-,13-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant C-terminal FLAG-tagged human leukotriene A4 hydrolase expressed in baculovirus-infected insect cells using Arg-...

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50457479
PNG
(CHEMBL1159812)
Show SMILES CSCCC(N)CS
Show InChI InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50457471
PNG
(CHEMBL1159811)
Show SMILES CSCC(N)CS
Show InChI InChI=1S/C4H11NS2/c1-7-3-4(5)2-6/h4,6H,2-3,5H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50368599
PNG
(CHEMBL1159809)
Show SMILES CS(=O)CCC(N)CS
Show InChI InChI=1S/C5H13NOS2/c1-9(7)3-2-5(6)4-8/h5,8H,2-4,6H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50457468
PNG
(CHEMBL4216928)
Show SMILES CC(C)CC(N)B(O)O
Show InChI InChI=1S/C5H14BNO2/c1-4(2)3-5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50457478
PNG
(CHEMBL4208547)
Show SMILES CC1(C)OB(OC1(C)C)C(N)Cc1ccccc1
Show InChI InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)12(16)10-11-8-6-5-7-9-11/h5-9,12H,10,16H2,1-4H3
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n/an/a 20n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50368598
PNG
(CHEMBL1159810)
Show SMILES CS(=O)CC(N)CS
Show InChI InChI=1S/C4H11NOS2/c1-8(6)3-4(5)2-7/h4,7H,2-3,5H2,1H3
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n/an/a 21n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50457469
PNG
(CHEMBL4213478)
Show SMILES CC(C)CC(N)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C11H24BNO2/c1-8(2)7-9(13)12-14-10(3,4)11(5,6)15-12/h8-9H,7,13H2,1-6H3
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n/an/a 25n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50131276
PNG
(CHEMBL328470 | N-(3-{4-[3-(7-Chloro-quinolin-4-yla...)
Show SMILES CC(C)CN(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)C(=O)CC(=O)NO
Show InChI InChI=1S/C26H39ClN6O3/c1-20(2)19-33(26(35)18-25(34)30-36)12-4-11-32-15-13-31(14-16-32)10-3-8-28-23-7-9-29-24-17-21(27)5-6-22(23)24/h5-7,9,17,20,36H,3-4,8,10-16,18-19H2,1-2H3,(H,28,29)(H,30,34)
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n/an/a 28n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN in porcine kidney using Leu-p-NA as substrate

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Cytosol aminopeptidase [33-68,L62W]


(Sus scrofa (Pig))		BDBM50457473
PNG
(CHEMBL4209822)
Show SMILES CC(C)C[C@@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C16H22N2O6/c1-9(2)8-11(13(19)15(21)18-24)14(20)17-12(16(22)23)10-6-4-3-5-7-10/h3-7,9,11-13,19,24H,8H2,1-2H3,(H,17,20)(H,18,21)(H,22,23)/t11-,12-,13-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney leucine aminopeptidase using LGG as substrate after 90 mins

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50457470
PNG
(CHEMBL4204214)
Show SMILES CC(N)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C8H18BNO2/c1-6(10)9-11-7(2,3)8(4,5)12-9/h6H,10H2,1-5H3
PDB

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n/an/a 40n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN (unknown origin)

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Cytosol aminopeptidase [33-68,L62W]


(Sus scrofa (Pig))		BDBM50457466
PNG
(CHEMBL4206158)
Show SMILES CC(C)C[C@@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H30N2O6/c1-13(2)12-16(18(24)20(26)23-28)19(25)22-17(14-8-4-3-5-9-14)21(27)29-15-10-6-7-11-15/h3-5,8-9,13,15-18,24,28H,6-7,10-12H2,1-2H3,(H,22,25)(H,23,26)/t16-,17-,18-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney leucine aminopeptidase using LGG as substrate after 90 mins

J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
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