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BDBM50267419 CHEMBL4063031

SMILES: CC(=O)SCC(CCCc1ccccc1)P(O)(O)=O

InChI Key: InChIKey=YKOSPDLKXQRIKT-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50267419   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
VIM-2


(Pseudomonas aeruginosa)
BDBM50267419
PNG
(CHEMBL4063031)
Show SMILES CC(=O)SCC(CCCc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C13H19O4PS/c1-11(14)19-10-13(18(15,16)17)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H2,15,16,17)
PDB

UniProtKB/TrEMBL

GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 301-5473 6His-tagged VIM-2 (V27 to E268 residues) expressed in Escherichia coli BL21 Star(DE3) pLysS using nitro...


Eur J Med Chem 135: 159-173 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.035
BindingDB Entry DOI: 10.7270/Q2RN3BBR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GIM-1


(Pseudomonas aeruginosa)
BDBM50267419
PNG
(CHEMBL4063031)
Show SMILES CC(=O)SCC(CCCc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C13H19O4PS/c1-11(14)19-10-13(18(15,16)17)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H2,15,16,17)
PDB

UniProtKB/TrEMBL

GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 6His-tagged GIM-1 (Q19 to D250 residues) expressed in Escherichia coli BL21 Star(DE3) pLysS using nitrocefin as ...


Eur J Med Chem 135: 159-173 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.035
BindingDB Entry DOI: 10.7270/Q2RN3BBR
More data for this
Ligand-Target Pair