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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B' and Ligand = 'BDBM50296414'   
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))
BDBM50296414
PNG
(CHEMBL552336 | N-(3-chlorophenyl)-4-((5-(3-methoxy...)
Show SMILES COc1cccc(CSc2nnc(Cc3csc(Nc4cccc(Cl)c4)n3)o2)c1
Show InChI InChI=1S/C20H17ClN4O2S2/c1-26-17-7-2-4-13(8-17)11-29-20-25-24-18(27-20)10-16-12-28-19(23-16)22-15-6-3-5-14(21)9-15/h2-9,12H,10-11H2,1H3,(H,22,23)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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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 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...)
BDBM50296414
PNG
(CHEMBL552336 | N-(3-chlorophenyl)-4-((5-(3-methoxy...)
Show SMILES COc1cccc(CSc2nnc(Cc3csc(Nc4cccc(Cl)c4)n3)o2)c1
Show InChI InChI=1S/C20H17ClN4O2S2/c1-26-17-7-2-4-13(8-17)11-29-20-25-24-18(27-20)10-16-12-28-19(23-16)22-15-6-3-5-14(21)9-15/h2-9,12H,10-11H2,1H3,(H,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.60E+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