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BDBM50385263 CHEMBL2035289

SMILES: OB(O)CNC(=O)c1ccccc1Cl

InChI Key: InChIKey=LXIUYRUEMMFAQV-UHFFFAOYSA-N

Data: 1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50385263   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50385263
PNG
(CHEMBL2035289)
Show SMILES OB(O)CNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
4.20E+4n/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)
Penicillin-binding protein 2X


(Streptococcus pneumoniae R6)
BDBM50385263
PNG
(CHEMBL2035289)
Show SMILES OB(O)CNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.62E+5n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB...


Bioorg Med Chem 20: 3915-24 (2012)

More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50385263
PNG
(CHEMBL2035289)
Show SMILES OB(O)CNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 8.50E+4n/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)