BindingDB logo
myBDB logout

null

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

InChI Key: InChIKey=BRDHXPSHOMSVLE-SORIKHJUSA-N

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 = 50415633   
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 N


(Homo sapiens (Human))
BDBM50415633
PNG
(CHEMBL259019)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C42H58N8O8/c1-5-26(4)37(49-39(55)33(19-28-13-15-31(51)16-14-28)47-38(54)32(22-43)25(2)3)41(57)48-34(20-30-23-44-24-45-30)42(58)50-17-9-12-35(50)40(56)46-29(21-36(52)53)18-27-10-7-6-8-11-27/h6-8,10-11,13-16,23-26,29,32-35,37,51H,5,9,12,17-22,43H2,1-4H3,(H,44,45)(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,52,53)/t26-,29-,32-,33-,34-,35-,37-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
27.5n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human aminopeptidase N transfected in HEK293 cells assessed as formation of p-nitroaniline


J Med Chem 52: 5612-8 (2009)


Article DOI: 10.1021/jm900651p
BindingDB Entry DOI: 10.7270/Q2TB185F
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50415633
PNG
(CHEMBL259019)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C42H58N8O8/c1-5-26(4)37(49-39(55)33(19-28-13-15-31(51)16-14-28)47-38(54)32(22-43)25(2)3)41(57)48-34(20-30-23-44-24-45-30)42(58)50-17-9-12-35(50)40(56)46-29(21-36(52)53)18-27-10-7-6-8-11-27/h6-8,10-11,13-16,23-26,29,32-35,37,51H,5,9,12,17-22,43H2,1-4H3,(H,44,45)(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,52,53)/t26-,29-,32-,33-,34-,35-,37-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
5.88E+3n/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
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50415633
PNG
(CHEMBL259019)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C42H58N8O8/c1-5-26(4)37(49-39(55)33(19-28-13-15-31(51)16-14-28)47-38(54)32(22-43)25(2)3)41(57)48-34(20-30-23-44-24-45-30)42(58)50-17-9-12-35(50)40(56)46-29(21-36(52)53)18-27-10-7-6-8-11-27/h6-8,10-11,13-16,23-26,29,32-35,37,51H,5,9,12,17-22,43H2,1-4H3,(H,44,45)(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,52,53)/t26-,29-,32-,33-,34-,35-,37-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
28n/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
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50415633
PNG
(CHEMBL259019)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C42H58N8O8/c1-5-26(4)37(49-39(55)33(19-28-13-15-31(51)16-14-28)47-38(54)32(22-43)25(2)3)41(57)48-34(20-30-23-44-24-45-30)42(58)50-17-9-12-35(50)40(56)46-29(21-36(52)53)18-27-10-7-6-8-11-27/h6-8,10-11,13-16,23-26,29,32-35,37,51H,5,9,12,17-22,43H2,1-4H3,(H,44,45)(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,52,53)/t26-,29-,32-,33-,34-,35-,37-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.89E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human IRAP transfected in HEK293 cells assessed as formation of p-nitroaniline


J Med Chem 52: 5612-8 (2009)


Article DOI: 10.1021/jm900651p
BindingDB Entry DOI: 10.7270/Q2TB185F
More data for this
Ligand-Target Pair