BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 292.4
BDBM50469661

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   
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
Beta-lactamase


(Escherichia coli)
BDBM50469661
PNG
(CHEMBL30870)
Show SMILES CCCCCCCCCCc1cccc(OC)c1C(O)=O
Show InChI InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-16(21-2)17(15)18(19)20/h11,13-14H,3-10,12H2,1-2H3,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 1.29E+8n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50469661
PNG
(CHEMBL30870)
Show SMILES CCCCCCCCCCc1cccc(OC)c1C(O)=O
Show InChI InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-16(21-2)17(15)18(19)20/h11,13-14H,3-10,12H2,1-2H3,(H,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 1.84E+8n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))
BDBM50469661
PNG
(CHEMBL30870)
Show SMILES CCCCCCCCCCc1cccc(OC)c1C(O)=O
Show InChI InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-16(21-2)17(15)18(19)20/h11,13-14H,3-10,12H2,1-2H3,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 5.47E+8n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Pseudomonas aeruginosa class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50469661
PNG
(CHEMBL30870)
Show SMILES CCCCCCCCCCc1cccc(OC)c1C(O)=O
Show InChI InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-16(21-2)17(15)18(19)20/h11,13-14H,3-10,12H2,1-2H3,(H,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 6.15E+8n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Proteus mirabilis)
BDBM50469661
PNG
(CHEMBL30870)
Show SMILES CCCCCCCCCCc1cccc(OC)c1C(O)=O
Show InChI InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-16(21-2)17(15)18(19)20/h11,13-14H,3-10,12H2,1-2H3,(H,19,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 6.15E+8n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Proteus mirabilis C889 class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase OXA-1


(Escherichia coli (Enterobacteria))
BDBM50469661
PNG
(CHEMBL30870)
Show SMILES CCCCCCCCCCc1cccc(OC)c1C(O)=O
Show InChI InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-16(21-2)17(15)18(19)20/h11,13-14H,3-10,12H2,1-2H3,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 2.15E+9n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(OXA1) class D beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair