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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B' and Ligand = 'BDBM50296415'   
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...)
BDBM50296415
PNG
(4-(5-(2-chlorobenzylthio)-1,3,4-oxadiazol-2-yl)-N-...)
Show SMILES Clc1ccccc1CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)NCc1cccs1
Show InChI InChI=1S/C20H16ClN3O3S3/c21-18-6-2-1-4-15(18)13-29-20-24-23-19(27-20)14-7-9-17(10-8-14)30(25,26)22-12-16-5-3-11-28-16/h1-11,22H,12-13H2
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+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))
BDBM50296415
PNG
(4-(5-(2-chlorobenzylthio)-1,3,4-oxadiazol-2-yl)-N-...)
Show SMILES Clc1ccccc1CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)NCc1cccs1
Show InChI InChI=1S/C20H16ClN3O3S3/c21-18-6-2-1-4-15(18)13-29-20-24-23-19(27-20)14-7-9-17(10-8-14)30(25,26)22-12-16-5-3-11-28-16/h1-11,22H,12-13H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.00E+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