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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 328.4
BDBM50078390
Wt: 328.4
BDBM50078392
Wt: 388.4
BDBM50078394
Wt: 354.4
BDBM50078395
Wt: 313.4
BDBM50078396
Wt: 328.4
BDBM50078397
Wt: 347.4
BDBM50078398
Wt: 342.4
BDBM50078399
Wt: 459.5
BDBM50078401
Purchase
Wt: 328.4
BDBM50078402
Wt: 424.4
BDBM50351402
Wt: 457.5
BDBM197051
Wt: 439.5
BDBM197052
Wt: 439.5
BDBM197053
Wt: 427.5
BDBM197054
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 109 hits in this display   
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
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50351402
PNG
(CHEMBL1819090)
Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...


Bioorg Med Chem 19: 5490-9 (2011)


Article DOI: 10.1016/j.bmc.2011.07.042
BindingDB Entry DOI: 10.7270/Q2T72HT6
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM197051
PNG
(US9212206, III)
Show SMILES CC(C)C[C@H](S)C(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C1)C(O)=O
Show InChI InChI=1S/C21H32FN3O5S/c1-12(2)8-17(31)20(28)25-11-14(22)9-16(25)19(27)24-6-3-4-15(24)18(26)23-7-5-13(10-23)21(29)30/h12-17,31H,3-11H2,1-2H3,(H,29,30)/t13-,14+,15+,16+,17+/m1/s1
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n/an/a 3.70n/an/an/an/a7.4n/a



TBA

US Patent


Assay Description
Human aminopeptidase P2 (APP2) enzyme activity was determined using the internally quenched fluorescent substrate: H-Lys(2-aminobenzoyl)-Pro-Pro-p-ni...


US Patent US9212206 (2015)


BindingDB Entry DOI: 10.7270/Q24T6H5V
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM197054
PNG
(US9212206, VII)
Show SMILES CC(C)C[C@H](S)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C)C(O)=O
Show InChI InChI=1S/C20H33N3O5S/c1-12(2)11-16(29)19(26)23-10-6-8-15(23)18(25)22-9-5-7-14(22)17(24)21(4)13(3)20(27)28/h12-16,29H,5-11H2,1-4H3,(H,27,28)/t13-,14-,15-,16-/m0/s1
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n/an/a 3.90n/an/an/an/a7.4n/a



TBA

US Patent


Assay Description
Human aminopeptidase P2 (APP2) enzyme activity was determined using the internally quenched fluorescent substrate: H-Lys(2-aminobenzoyl)-Pro-Pro-p-ni...


US Patent US9212206 (2015)


BindingDB Entry DOI: 10.7270/Q24T6H5V
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM197053
PNG
(US9212206, VI)
Show SMILES CC(C)C[C@H](S)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C21H33N3O5S/c1-13(2)12-17(30)20(27)23-10-4-7-15(23)18(25)22-9-3-6-14(22)19(26)24-11-5-8-16(24)21(28)29/h13-17,30H,3-12H2,1-2H3,(H,28,29)/t14-,15-,16+,17-/m0/s1
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n/an/a 9.70n/an/an/an/a7.4n/a



TBA

US Patent


Assay Description
Human aminopeptidase P2 (APP2) enzyme activity was determined using the internally quenched fluorescent substrate: H-Lys(2-aminobenzoyl)-Pro-Pro-p-ni...


US Patent US9212206 (2015)


BindingDB Entry DOI: 10.7270/Q24T6H5V
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM197052
PNG
(US9212206, V)
Show SMILES CC(C)C[C@H](S)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](C1)C(O)=O
Show InChI InChI=1S/C21H33N3O5S/c1-13(2)11-17(30)20(27)24-9-4-6-16(24)19(26)23-8-3-5-15(23)18(25)22-10-7-14(12-22)21(28)29/h13-17,30H,3-12H2,1-2H3,(H,28,29)/t14-,15-,16-,17-/m0/s1
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n/an/a 26n/an/an/an/a7.4n/a



TBA

US Patent


Assay Description
Human aminopeptidase P2 (APP2) enzyme activity was determined using the internally quenched fluorescent substrate: H-Lys(2-aminobenzoyl)-Pro-Pro-p-ni...


US Patent US9212206 (2015)


BindingDB Entry DOI: 10.7270/Q24T6H5V
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078397
PNG
(1-(3-Amino-2-hydroxy-5-methyl-hexanoyl)-pyrrolidin...)
Show SMILES CC(C)C[C@@H](N)C(O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10+,11-,12?/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against membrane bound monkey aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078397
PNG
(1-(3-Amino-2-hydroxy-5-methyl-hexanoyl)-pyrrolidin...)
Show SMILES CC(C)C[C@@H](N)C(O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10+,11-,12?/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against membrane bound human aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078402
PNG
((S)-1-((R)-3-Amino-2-hydroxy-5-methyl-hexanoyl)-py...)
Show SMILES CC(C)CC(N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10?,11-,12+/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against membrane bound monkey aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Leucine aminopeptidase


(Homo sapiens)
BDBM50078401
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Leucyl aminopeptidase from pig kidney.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 2


(Rattus norvegicus)
BDBM50078402
PNG
((S)-1-((R)-3-Amino-2-hydroxy-5-methyl-hexanoyl)-py...)
Show SMILES CC(C)CC(N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10?,11-,12+/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Activity against membrane bound rat aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078402
PNG
((S)-1-((R)-3-Amino-2-hydroxy-5-methyl-hexanoyl)-py...)
Show SMILES CC(C)CC(N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10?,11-,12+/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against membrane bound human aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 2


(Rattus norvegicus)
BDBM50078397
PNG
(1-(3-Amino-2-hydroxy-5-methyl-hexanoyl)-pyrrolidin...)
Show SMILES CC(C)C[C@@H](N)C(O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10+,11-,12?/m0/s1
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n/an/a 560n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Activity against membrane bound rat aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM197054
PNG
(US9212206, VII)
Show SMILES CC(C)C[C@H](S)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C)C(O)=O
Show InChI InChI=1S/C20H33N3O5S/c1-12(2)11-16(29)19(26)23-10-6-8-15(23)18(25)22-9-5-7-14(22)17(24)21(4)13(3)20(27)28/h12-16,29H,5-11H2,1-4H3,(H,27,28)/t13-,14-,15-,16-/m0/s1
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n/an/a 640n/an/an/an/a7.4n/a



TBA

US Patent


Assay Description
Human recombinant angiotensin-converting enzyme (hrACE) was obtained from R&D Systems (Minneapolis, Minn.). Its enzyme activity was determined using ...


US Patent US9212206 (2015)


BindingDB Entry DOI: 10.7270/Q24T6H5V
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50078402
PNG
((S)-1-((R)-3-Amino-2-hydroxy-5-methyl-hexanoyl)-py...)
Show SMILES CC(C)CC(N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10?,11-,12+/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Prolidase from pig kidney.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 1


(Homo sapiens)
BDBM50078402
PNG
((S)-1-((R)-3-Amino-2-hydroxy-5-methyl-hexanoyl)-py...)
Show SMILES CC(C)CC(N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10?,11-,12+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Aminopeptidase P from human platelets.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 1


(Homo sapiens)
BDBM50078397
PNG
(1-(3-Amino-2-hydroxy-5-methyl-hexanoyl)-pyrrolidin...)
Show SMILES CC(C)C[C@@H](N)C(O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10+,11-,12?/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Aminopeptidase P from human platelets.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50078397
PNG
(1-(3-Amino-2-hydroxy-5-methyl-hexanoyl)-pyrrolidin...)
Show SMILES CC(C)C[C@@H](N)C(O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10+,11-,12?/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Prolidase from pig kidney.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50078394
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES N[C@H](Cc1ccccc1)[C@H](O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C20H28N4O4/c21-14(12-13-6-2-1-3-7-13)17(25)20(28)24-11-5-9-16(24)19(27)23-10-4-8-15(23)18(22)26/h1-3,6-7,14-17,25H,4-5,8-12,21H2,(H2,22,26)/t14-,15+,16+,17+/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Prolidase from pig kidney.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Leucine aminopeptidase


(Homo sapiens)
BDBM50078394
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES N[C@H](Cc1ccccc1)[C@H](O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C20H28N4O4/c21-14(12-13-6-2-1-3-7-13)17(25)20(28)24-11-5-9-16(24)19(27)23-10-4-8-15(23)18(22)26/h1-3,6-7,14-17,25H,4-5,8-12,21H2,(H2,22,26)/t14-,15+,16+,17+/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Leucyl aminopeptidase from pig kidney.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078398
PNG
(2-[(S)-2-((S)-1-Carbamoyl-ethylcarbamoyl)-pyrrolid...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(CCc1ccccc1)C(O)=O)C(N)=O
Show InChI InChI=1S/C18H25N3O4/c1-12(16(19)22)20-17(23)14-8-5-11-21(14)15(18(24)25)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H2,19,22)(H,20,23)(H,24,25)/t12-,14-,15?/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against membrane bound human aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078401
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against membrane bound human aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 2


(Rattus norvegicus)
BDBM50078396
PNG
((S)-1-(2-Mercapto-cyclopentanecarbonyl)-pyrrolidin...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCCC1S)C(N)=O
Show InChI InChI=1S/C14H23N3O3S/c1-8(12(15)18)16-13(19)10-5-3-7-17(10)14(20)9-4-2-6-11(9)21/h8-11,21H,2-7H2,1H3,(H2,15,18)(H,16,19)/t8-,9?,10-,11?/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Activity against membrane bound rat aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 2


(Rattus norvegicus)
BDBM50078398
PNG
(2-[(S)-2-((S)-1-Carbamoyl-ethylcarbamoyl)-pyrrolid...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(CCc1ccccc1)C(O)=O)C(N)=O
Show InChI InChI=1S/C18H25N3O4/c1-12(16(19)22)20-17(23)14-8-5-11-21(14)15(18(24)25)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H2,19,22)(H,20,23)(H,24,25)/t12-,14-,15?/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Activity against membrane bound rat aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 2


(Rattus norvegicus)
BDBM50078401
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Activity against membrane bound rat aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50078401
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Prolidase from pig kidney.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 1


(Homo sapiens)
BDBM50078398
PNG
(2-[(S)-2-((S)-1-Carbamoyl-ethylcarbamoyl)-pyrrolid...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(CCc1ccccc1)C(O)=O)C(N)=O
Show InChI InChI=1S/C18H25N3O4/c1-12(16(19)22)20-17(23)14-8-5-11-21(14)15(18(24)25)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H2,19,22)(H,20,23)(H,24,25)/t12-,14-,15?/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Aminopeptidase P from human platelets.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078401
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against membrane bound monkey aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 1


(Homo sapiens)
BDBM50078396
PNG
((S)-1-(2-Mercapto-cyclopentanecarbonyl)-pyrrolidin...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCCC1S)C(N)=O
Show InChI InChI=1S/C14H23N3O3S/c1-8(12(15)18)16-13(19)10-5-3-7-17(10)14(20)9-4-2-6-11(9)21/h8-11,21H,2-7H2,1H3,(H2,15,18)(H,16,19)/t8-,9?,10-,11?/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against cytosolic Aminopeptidase P from human heart.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 1


(Homo sapiens)
BDBM50078397
PNG
(1-(3-Amino-2-hydroxy-5-methyl-hexanoyl)-pyrrolidin...)
Show SMILES CC(C)C[C@@H](N)C(O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10+,11-,12?/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against cytosolic Aminopeptidase P from human heart.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Leucine aminopeptidase


(Homo sapiens)
BDBM50078402
PNG
((S)-1-((R)-3-Amino-2-hydroxy-5-methyl-hexanoyl)-py...)
Show SMILES CC(C)CC(N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10?,11-,12+/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Leucyl aminopeptidase from pig kidney.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078398
PNG
(2-[(S)-2-((S)-1-Carbamoyl-ethylcarbamoyl)-pyrrolid...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(CCc1ccccc1)C(O)=O)C(N)=O
Show InChI InChI=1S/C18H25N3O4/c1-12(16(19)22)20-17(23)14-8-5-11-21(14)15(18(24)25)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H2,19,22)(H,20,23)(H,24,25)/t12-,14-,15?/m0/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against membrane bound monkey aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50351402
PNG
(CHEMBL1819090)
Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic receptor 4


Bioorg Med Chem 19: 5490-9 (2011)


Article DOI: 10.1016/j.bmc.2011.07.042
BindingDB Entry DOI: 10.7270/Q2T72HT6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50351402
PNG
(CHEMBL1819090)
Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic receptor 2


Bioorg Med Chem 19: 5490-9 (2011)


Article DOI: 10.1016/j.bmc.2011.07.042
BindingDB Entry DOI: 10.7270/Q2T72HT6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50351402
PNG
(CHEMBL1819090)
Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic receptor 1


Bioorg Med Chem 19: 5490-9 (2011)


Article DOI: 10.1016/j.bmc.2011.07.042
BindingDB Entry DOI: 10.7270/Q2T72HT6
More data for this
Ligand-Target Pair
Leucine aminopeptidase


(Homo sapiens)
BDBM50078397
PNG
(1-(3-Amino-2-hydroxy-5-methyl-hexanoyl)-pyrrolidin...)
Show SMILES CC(C)C[C@@H](N)C(O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10+,11-,12?/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Leucyl aminopeptidase from pig kidney.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM197053
PNG
(US9212206, VI)
Show SMILES CC(C)C[C@H](S)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C21H33N3O5S/c1-13(2)12-17(30)20(27)23-10-4-7-15(23)18(25)22-9-3-6-14(22)19(26)24-11-5-8-16(24)21(28)29/h13-17,30H,3-12H2,1-2H3,(H,28,29)/t14-,15-,16+,17-/m0/s1
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n/an/a 1.20E+4n/an/an/an/a7.4n/a



TBA

US Patent


Assay Description
Human recombinant angiotensin-converting enzyme (hrACE) was obtained from R&D Systems (Minneapolis, Minn.). Its enzyme activity was determined using ...


US Patent US9212206 (2015)


BindingDB Entry DOI: 10.7270/Q24T6H5V
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078396
PNG
((S)-1-(2-Mercapto-cyclopentanecarbonyl)-pyrrolidin...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCCC1S)C(N)=O
Show InChI InChI=1S/C14H23N3O3S/c1-8(12(15)18)16-13(19)10-5-3-7-17(10)14(20)9-4-2-6-11(9)21/h8-11,21H,2-7H2,1H3,(H2,15,18)(H,16,19)/t8-,9?,10-,11?/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against membrane bound monkey aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 1


(Homo sapiens)
BDBM50078401
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Aminopeptidase P from human platelets.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 2


(Rattus norvegicus)
BDBM50078392
PNG
((S)-1-((2R,3R)-3-Amino-2-hydroxy-5-methyl-hexanoyl...)
Show SMILES CC(C)C[C@@H](N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10+,11-,12+/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Activity against membrane bound rat aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078395
PNG
((S)-1-(2-Hydroxycarbamoyl-cyclohexanecarbonyl)-pyr...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1C(=O)NO)C(N)=O
Show InChI InChI=1S/C16H26N4O5/c1-9(13(17)21)18-15(23)12-7-4-8-20(12)16(24)11-6-3-2-5-10(11)14(22)19-25/h9-12,25H,2-8H2,1H3,(H2,17,21)(H,18,23)(H,19,22)/t9-,10?,11?,12-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against membrane bound monkey aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 1


(Homo sapiens)
BDBM50078401
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against cytosolic Aminopeptidase P from human heart.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 1


(Homo sapiens)
BDBM50078402
PNG
((S)-1-((R)-3-Amino-2-hydroxy-5-methyl-hexanoyl)-py...)
Show SMILES CC(C)CC(N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10?,11-,12+/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against cytosolic Aminopeptidase P from human heart.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078396
PNG
((S)-1-(2-Mercapto-cyclopentanecarbonyl)-pyrrolidin...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCCC1S)C(N)=O
Show InChI InChI=1S/C14H23N3O3S/c1-8(12(15)18)16-13(19)10-5-3-7-17(10)14(20)9-4-2-6-11(9)21/h8-11,21H,2-7H2,1H3,(H2,15,18)(H,16,19)/t8-,9?,10-,11?/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against membrane bound human aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50351402
PNG
(CHEMBL1819090)
Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem 19: 5490-9 (2011)


Article DOI: 10.1016/j.bmc.2011.07.042
BindingDB Entry DOI: 10.7270/Q2T72HT6
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078392
PNG
((S)-1-((2R,3R)-3-Amino-2-hydroxy-5-methyl-hexanoyl...)
Show SMILES CC(C)C[C@@H](N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10+,11-,12+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against membrane bound monkey aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078392
PNG
((S)-1-((2R,3R)-3-Amino-2-hydroxy-5-methyl-hexanoyl...)
Show SMILES CC(C)C[C@@H](N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10+,11-,12+/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against membrane bound human aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 2


(Rattus norvegicus)
BDBM50078395
PNG
((S)-1-(2-Hydroxycarbamoyl-cyclohexanecarbonyl)-pyr...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1C(=O)NO)C(N)=O
Show InChI InChI=1S/C16H26N4O5/c1-9(13(17)21)18-15(23)12-7-4-8-20(12)16(24)11-6-3-2-5-10(11)14(22)19-25/h9-12,25H,2-8H2,1H3,(H2,17,21)(H,18,23)(H,19,22)/t9-,10?,11?,12-/m0/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Activity against membrane bound rat aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50351402
PNG
(CHEMBL1819090)
Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem 19: 5490-9 (2011)


Article DOI: 10.1016/j.bmc.2011.07.042
BindingDB Entry DOI: 10.7270/Q2T72HT6
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 1


(Homo sapiens)
BDBM50078394
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES N[C@H](Cc1ccccc1)[C@H](O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C20H28N4O4/c21-14(12-13-6-2-1-3-7-13)17(25)20(28)24-11-5-9-16(24)19(27)23-10-4-8-15(23)18(22)26/h1-3,6-7,14-17,25H,4-5,8-12,21H2,(H2,22,26)/t14-,15+,16+,17+/m1/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against cytosolic Aminopeptidase P from human heart.


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078395
PNG
((S)-1-(2-Hydroxycarbamoyl-cyclohexanecarbonyl)-pyr...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1C(=O)NO)C(N)=O
Show InChI InChI=1S/C16H26N4O5/c1-9(13(17)21)18-15(23)12-7-4-8-20(12)16(24)11-6-3-2-5-10(11)14(22)19-25/h9-12,25H,2-8H2,1H3,(H2,17,21)(H,18,23)(H,19,22)/t9-,10?,11?,12-/m0/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against membrane bound human aminopeptidase P


J Med Chem 42: 2394-402 (1999)


Article DOI: 10.1021/jm9805642
BindingDB Entry DOI: 10.7270/Q2N878ZS
More data for this
Ligand-Target Pair
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