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BDBM50078400 1-[1-(3-Amino-2-hydroxy-4-phenyl-butyryl)-4-hydroxy-pyrrolidine-2-carbonyl]-pyrrolidine-2-carboxylic acid (1-carbamoyl-ethyl)-amide::CHEMBL310868

SMILES: C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O

InChI Key: InChIKey=WAQIACRLBKOQJK-ILEYUAAKSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50078400   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Xaa-Pro aminopeptidase 2


(Rattus norvegicus)
BDBM50078400
PNG
(1-[1-(3-Amino-2-hydroxy-4-phenyl-butyryl)-4-hydrox...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O6/c1-13(20(25)31)26-21(32)17-8-5-9-27(17)22(33)18-11-15(29)12-28(18)23(34)19(30)16(24)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-19,29-30H,5,8-12,24H2,1H3,(H2,25,31)(H,26,32)/t13-,15?,16+,17-,18-,19-/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

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PubMed
n/an/a 1.70E+6n/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 (Human))
BDBM50078400
PNG
(1-[1-(3-Amino-2-hydroxy-4-phenyl-butyryl)-4-hydrox...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O6/c1-13(20(25)31)26-21(32)17-8-5-9-27(17)22(33)18-11-15(29)12-28(18)23(34)19(30)16(24)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-19,29-30H,5,8-12,24H2,1H3,(H2,25,31)(H,26,32)/t13-,15?,16+,17-,18-,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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n/an/a 1.10E+5n/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
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078400
PNG
(1-[1-(3-Amino-2-hydroxy-4-phenyl-butyryl)-4-hydrox...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O6/c1-13(20(25)31)26-21(32)17-8-5-9-27(17)22(33)18-11-15(29)12-28(18)23(34)19(30)16(24)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-19,29-30H,5,8-12,24H2,1H3,(H2,25,31)(H,26,32)/t13-,15?,16+,17-,18-,19-/m0/s1
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n/an/a 6.00E+5n/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 1


(Homo sapiens (Human))
BDBM50078400
PNG
(1-[1-(3-Amino-2-hydroxy-4-phenyl-butyryl)-4-hydrox...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O6/c1-13(20(25)31)26-21(32)17-8-5-9-27(17)22(33)18-11-15(29)12-28(18)23(34)19(30)16(24)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-19,29-30H,5,8-12,24H2,1H3,(H2,25,31)(H,26,32)/t13-,15?,16+,17-,18-,19-/m0/s1
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n/an/a>2.00E+6n/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 (Human))
BDBM50078400
PNG
(1-[1-(3-Amino-2-hydroxy-4-phenyl-butyryl)-4-hydrox...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O6/c1-13(20(25)31)26-21(32)17-8-5-9-27(17)22(33)18-11-15(29)12-28(18)23(34)19(30)16(24)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-19,29-30H,5,8-12,24H2,1H3,(H2,25,31)(H,26,32)/t13-,15?,16+,17-,18-,19-/m0/s1
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n/an/a 1.60E+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))
BDBM50078400
PNG
(1-[1-(3-Amino-2-hydroxy-4-phenyl-butyryl)-4-hydrox...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O6/c1-13(20(25)31)26-21(32)17-8-5-9-27(17)22(33)18-11-15(29)12-28(18)23(34)19(30)16(24)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-19,29-30H,5,8-12,24H2,1H3,(H2,25,31)(H,26,32)/t13-,15?,16+,17-,18-,19-/m0/s1
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n/an/a 4.70E+5n/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 (Human))
BDBM50078400
PNG
(1-[1-(3-Amino-2-hydroxy-4-phenyl-butyryl)-4-hydrox...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O6/c1-13(20(25)31)26-21(32)17-8-5-9-27(17)22(33)18-11-15(29)12-28(18)23(34)19(30)16(24)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-19,29-30H,5,8-12,24H2,1H3,(H2,25,31)(H,26,32)/t13-,15?,16+,17-,18-,19-/m0/s1
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n/an/a>2.00E+6n/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