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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B' and Ligand = 'BDBM50296413'   
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
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
BDBM50296413
PNG
(CHEMBL551268 | N-benzyl-N-(4-phenylthiazol-2-yl)cy...)
Show SMILES O=C(C1CC1)N(Cc1ccccc1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H18N2OS/c23-19(17-11-12-17)22(13-15-7-3-1-4-8-15)20-21-18(14-24-20)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system


Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))
BDBM50296413
PNG
(CHEMBL551268 | N-benzyl-N-(4-phenylthiazol-2-yl)cy...)
Show SMILES O=C(C1CC1)N(Cc1ccccc1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H18N2OS/c23-19(17-11-12-17)22(13-15-7-3-1-4-8-15)20-21-18(14-24-20)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system


Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair