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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B' and Ligand = 'BDBM50296432'   
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...)
BDBM50296432
PNG
(CHEMBL552272 | N-(2-(2-(2-(4-methoxyphenyl)-2-oxoe...)
Show SMILES COc1ccc(cc1)C(=O)Cn1nnc(n1)-c1ccccc1NC(=O)C1CC1
Show InChI InChI=1S/C20H19N5O3/c1-28-15-10-8-13(9-11-15)18(26)12-25-23-19(22-24-25)16-4-2-3-5-17(16)21-20(27)14-6-7-14/h2-5,8-11,14H,6-7,12H2,1H3,(H,21,27)
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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.10E+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
Carboxypeptidase B


(Homo sapiens (Human))
BDBM50296432
PNG
(CHEMBL552272 | N-(2-(2-(2-(4-methoxyphenyl)-2-oxoe...)
Show SMILES COc1ccc(cc1)C(=O)Cn1nnc(n1)-c1ccccc1NC(=O)C1CC1
Show InChI InChI=1S/C20H19N5O3/c1-28-15-10-8-13(9-11-15)18(26)12-25-23-19(22-24-25)16-4-2-3-5-17(16)21-20(27)14-6-7-14/h2-5,8-11,14H,6-7,12H2,1H3,(H,21,27)
PDB
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.92E+5n/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