BindingDB logo
myBDB logout

BDBM50078393 (S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-butyryl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carboxylic acid {(S)-1-[(S)-1-((R)-1-carbamoyl-2-mercapto-ethylcarbamoyl)-ethylcarbamoyl]-ethyl}-amide::CHEMBL78505

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

InChI Key: InChIKey=NZQDJXSJXCVXAN-FCZNNESMSA-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 = 50078393   
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)
BDBM50078393
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C29H43N7O7S/c1-16(25(39)32-17(2)26(40)34-20(15-44)24(31)38)33-27(41)21-10-6-12-35(21)28(42)22-11-7-13-36(22)29(43)23(37)19(30)14-18-8-4-3-5-9-18/h3-5,8-9,16-17,19-23,37,44H,6-7,10-15,30H2,1-2H3,(H2,31,38)(H,32,39)(H,33,41)(H,34,40)/t16-,17-,19+,20-,21-,22-,23-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 660n/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))
BDBM50078393
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C29H43N7O7S/c1-16(25(39)32-17(2)26(40)34-20(15-44)24(31)38)33-27(41)21-10-6-12-35(21)28(42)22-11-7-13-36(22)29(43)23(37)19(30)14-18-8-4-3-5-9-18/h3-5,8-9,16-17,19-23,37,44H,6-7,10-15,30H2,1-2H3,(H2,31,38)(H,32,39)(H,33,41)(H,34,40)/t16-,17-,19+,20-,21-,22-,23-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+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 dipeptidase


(Homo sapiens (Human))
BDBM50078393
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C29H43N7O7S/c1-16(25(39)32-17(2)26(40)34-20(15-44)24(31)38)33-27(41)21-10-6-12-35(21)28(42)22-11-7-13-36(22)29(43)23(37)19(30)14-18-8-4-3-5-9-18/h3-5,8-9,16-17,19-23,37,44H,6-7,10-15,30H2,1-2H3,(H2,31,38)(H,32,39)(H,33,41)(H,34,40)/t16-,17-,19+,20-,21-,22-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.30E+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))
BDBM50078393
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C29H43N7O7S/c1-16(25(39)32-17(2)26(40)34-20(15-44)24(31)38)33-27(41)21-10-6-12-35(21)28(42)22-11-7-13-36(22)29(43)23(37)19(30)14-18-8-4-3-5-9-18/h3-5,8-9,16-17,19-23,37,44H,6-7,10-15,30H2,1-2H3,(H2,31,38)(H,32,39)(H,33,41)(H,34,40)/t16-,17-,19+,20-,21-,22-,23-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+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
Xaa-Pro aminopeptidase 1


(Homo sapiens (Human))
BDBM50078393
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C29H43N7O7S/c1-16(25(39)32-17(2)26(40)34-20(15-44)24(31)38)33-27(41)21-10-6-12-35(21)28(42)22-11-7-13-36(22)29(43)23(37)19(30)14-18-8-4-3-5-9-18/h3-5,8-9,16-17,19-23,37,44H,6-7,10-15,30H2,1-2H3,(H2,31,38)(H,32,39)(H,33,41)(H,34,40)/t16-,17-,19+,20-,21-,22-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.70E+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 (Human))
BDBM50078393
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C29H43N7O7S/c1-16(25(39)32-17(2)26(40)34-20(15-44)24(31)38)33-27(41)21-10-6-12-35(21)28(42)22-11-7-13-36(22)29(43)23(37)19(30)14-18-8-4-3-5-9-18/h3-5,8-9,16-17,19-23,37,44H,6-7,10-15,30H2,1-2H3,(H2,31,38)(H,32,39)(H,33,41)(H,34,40)/t16-,17-,19+,20-,21-,22-,23-/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 290n/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 1


(Homo sapiens (Human))
BDBM50078393
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C29H43N7O7S/c1-16(25(39)32-17(2)26(40)34-20(15-44)24(31)38)33-27(41)21-10-6-12-35(21)28(42)22-11-7-13-36(22)29(43)23(37)19(30)14-18-8-4-3-5-9-18/h3-5,8-9,16-17,19-23,37,44H,6-7,10-15,30H2,1-2H3,(H2,31,38)(H,32,39)(H,33,41)(H,34,40)/t16-,17-,19+,20-,21-,22-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.80E+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