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BDBM50478357 CHEMBL428457

SMILES: CC(C)C[C@@H](CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=VYIZXMBSMMAZPF-DATVRVMLSA-N

Data: 4 KI

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 4 hits for monomerid = 50478357   
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
Aminopeptidase


(Homo sapiens (Human))
BDBM50478357
PNG
(CHEMBL428457)
Show SMILES CC(C)C[C@@H](CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-24(2)17-28(21-44-37(52)31(46-39(54)35(42)25(3)4)18-27-12-14-30(50)15-13-27)36(51)47-32(20-29-22-43-23-45-29)40(55)49-16-8-11-34(49)38(53)48-33(41(56)57)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,22-25,28,31-35,50H,8,11,16-21,42H2,1-4H3,(H,43,45)(H,44,52)(H,46,54)(H,47,51)(H,48,53)(H,56,57)/t28-,31-,32-,33-,34-,35-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem
Article
PubMed
178n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50478357
PNG
(CHEMBL428457)
Show SMILES CC(C)C[C@@H](CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-24(2)17-28(21-44-37(52)31(46-39(54)35(42)25(3)4)18-27-12-14-30(50)15-13-27)36(51)47-32(20-29-22-43-23-45-29)40(55)49-16-8-11-34(49)38(53)48-33(41(56)57)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,22-25,28,31-35,50H,8,11,16-21,42H2,1-4H3,(H,43,45)(H,44,52)(H,46,54)(H,47,51)(H,48,53)(H,56,57)/t28-,31-,32-,33-,34-,35-/m0/s1
PDB

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200n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50478357
PNG
(CHEMBL428457)
Show SMILES CC(C)C[C@@H](CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-24(2)17-28(21-44-37(52)31(46-39(54)35(42)25(3)4)18-27-12-14-30(50)15-13-27)36(51)47-32(20-29-22-43-23-45-29)40(55)49-16-8-11-34(49)38(53)48-33(41(56)57)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,22-25,28,31-35,50H,8,11,16-21,42H2,1-4H3,(H,43,45)(H,44,52)(H,46,54)(H,47,51)(H,48,53)(H,56,57)/t28-,31-,32-,33-,34-,35-/m0/s1
PDB

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9.12E+13n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50478357
PNG
(CHEMBL428457)
Show SMILES CC(C)C[C@@H](CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-24(2)17-28(21-44-37(52)31(46-39(54)35(42)25(3)4)18-27-12-14-30(50)15-13-27)36(51)47-32(20-29-22-43-23-45-29)40(55)49-16-8-11-34(49)38(53)48-33(41(56)57)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,22-25,28,31-35,50H,8,11,16-21,42H2,1-4H3,(H,43,45)(H,44,52)(H,46,54)(H,47,51)(H,48,53)(H,56,57)/t28-,31-,32-,33-,34-,35-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+14n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair