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BDBM50078391 (S)-1-[(R)-3-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-butyryl)-thiazolidine-4-carbonyl]-pyrrolidine-2-carboxylic acid ((S)-1-carbamoyl-ethyl)-amide::CHEMBL79092

SMILES: C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O

InChI Key: InChIKey=VXQMBLUFKRQEEZ-ITWBUVANSA-N

Data: 6 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 6 hits for monomerid = 50078391   
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
Membrane-bound aminopeptidase P (APP2)


(Homo sapiens (Human))
BDBM50078391
PNG
((S)-1-[(R)-3-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C22H31N5O5S/c1-13(19(24)29)25-20(30)16-8-5-9-26(16)21(31)17-11-33-12-27(17)22(32)18(28)15(23)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-18,28H,5,8-12,23H2,1H3,(H2,24,29)(H,25,30)/t13-,15+,16-,17-,18-/m0/s1
UniProtKB/SwissProt

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PubMed
n/an/a 1.10E+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 dipeptidase


(Homo sapiens (Human))
BDBM50078391
PNG
((S)-1-[(R)-3-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C22H31N5O5S/c1-13(19(24)29)25-20(30)16-8-5-9-26(16)21(31)17-11-33-12-27(17)22(32)18(28)15(23)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-18,28H,5,8-12,23H2,1H3,(H2,24,29)(H,25,30)/t13-,15+,16-,17-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PubMed
n/an/a 2.90E+4n/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))
BDBM50078391
PNG
((S)-1-[(R)-3-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C22H31N5O5S/c1-13(19(24)29)25-20(30)16-8-5-9-26(16)21(31)17-11-33-12-27(17)22(32)18(28)15(23)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-18,28H,5,8-12,23H2,1H3,(H2,24,29)(H,25,30)/t13-,15+,16-,17-,18-/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 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 2


(Rattus norvegicus)
BDBM50078391
PNG
((S)-1-[(R)-3-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C22H31N5O5S/c1-13(19(24)29)25-20(30)16-8-5-9-26(16)21(31)17-11-33-12-27(17)22(32)18(28)15(23)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-18,28H,5,8-12,23H2,1H3,(H2,24,29)(H,25,30)/t13-,15+,16-,17-,18-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.20E+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 1


(Homo sapiens (Human))
BDBM50078391
PNG
((S)-1-[(R)-3-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C22H31N5O5S/c1-13(19(24)29)25-20(30)16-8-5-9-26(16)21(31)17-11-33-12-27(17)22(32)18(28)15(23)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-18,28H,5,8-12,23H2,1H3,(H2,24,29)(H,25,30)/t13-,15+,16-,17-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8.20E+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
Leucine aminopeptidase


(Homo sapiens (Human))
BDBM50078391
PNG
((S)-1-[(R)-3-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C22H31N5O5S/c1-13(19(24)29)25-20(30)16-8-5-9-26(16)21(31)17-11-33-12-27(17)22(32)18(28)15(23)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-18,28H,5,8-12,23H2,1H3,(H2,24,29)(H,25,30)/t13-,15+,16-,17-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/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