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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B' and Ligand = 'BDBM50296434'   
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


(Homo sapiens (Human))
BDBM50296434
PNG
(3-(5-(2-(2-fluorophenyl)-2-oxoethylthio)-1H-tetraz...)
Show SMILES OC(=O)c1cccc(c1)-n1nnnc1SCC(=O)c1ccccc1F
Show InChI InChI=1S/C16H11FN4O3S/c17-13-7-2-1-6-12(13)14(22)9-25-16-18-19-20-21(16)11-5-3-4-10(8-11)15(23)24/h1-8H,9H2,(H,23,24)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.36E+4n/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
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
BDBM50296434
PNG
(3-(5-(2-(2-fluorophenyl)-2-oxoethylthio)-1H-tetraz...)
Show SMILES OC(=O)c1cccc(c1)-n1nnnc1SCC(=O)c1ccccc1F
Show InChI InChI=1S/C16H11FN4O3S/c17-13-7-2-1-6-12(13)14(22)9-25-16-18-19-20-21(16)11-5-3-4-10(8-11)15(23)24/h1-8H,9H2,(H,23,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.38E+4n/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