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PDB code 3ZVT

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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
D-alanyl-D-alanine carboxypeptidase

  (466/466 = 100%)
(Actinomadura sp. (strain R39))
BDBM50385267
PNG
(CHEMBL2035284)
Show SMILES COc1cccc(OC)c1C(=O)NCB(O)O
Show InChI InChI=1S/C10H14BNO5/c1-16-7-4-3-5-8(17-2)9(7)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Binding affinity to Actinomadura sp. R39 PBP


Bioorg Med Chem 20: 3915-24 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-alanyl-D-alanine carboxypeptidase

  (466/466 = 100%)
(Actinomadura sp. (strain R39))
BDBM50385267
PNG
(CHEMBL2035284)
Show SMILES COc1cccc(OC)c1C(=O)NCB(O)O
Show InChI InChI=1S/C10H14BNO5/c1-16-7-4-3-5-8(17-2)9(7)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 PBP using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry


Bioorg Med Chem 20: 3915-24 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output