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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aminopeptidase N' and Ligand = 'BDBM50415634'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aminopeptidase N


(Homo sapiens (Human))
BDBM50415634
PNG
(CHEMBL260622)
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](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)35(48-37(52)31(18-27-13-15-29(50)16-14-27)45-36(51)30(21-42)24(2)3)39(54)46-32(20-28-22-43-23-44-28)40(55)49-17-9-12-34(49)38(53)47-33(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,30-35,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)/t25-,30-,31-,32-,33-,34-,35-/m0/s1
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/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))
BDBM50415634
PNG
(CHEMBL260622)
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](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)35(48-37(52)31(18-27-13-15-29(50)16-14-27)45-36(51)30(21-42)24(2)3)39(54)46-32(20-28-22-43-23-44-28)40(55)49-17-9-12-34(49)38(53)47-33(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,30-35,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)/t25-,30-,31-,32-,33-,34-,35-/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
4.46E+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