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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'chhabra' and Initial = 'sr'   
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
Sensory histidine kinase DcuS


(Staphylococcus aureus)
BDBM50497017
PNG
(CHEMBL3235596)
Show SMILES CCCCCCCCCCC\C(O)=C1\C(=O)N[C@@H](CCO)C1=O |r|
Show InChI InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(21)16-17(22)14(12-13-20)19-18(16)23/h14,20-21H,2-13H2,1H3,(H,19,23)/b16-15-/t14-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.30E+4n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Binding affinity to AgrC in Staphylococcus aureus assessed as disruption of membrane dipole potential by di-8-ANEPPS fluorescence assay


J Med Chem 57: 2813-9 (2014)


Article DOI: 10.1021/jm500215s
BindingDB Entry DOI: 10.7270/Q2XG9V4C
More data for this
Ligand-Target Pair
Sensory histidine kinase DcuS


(Staphylococcus aureus)
BDBM50497018
PNG
(CHEMBL3235589)
Show SMILES CCCCCCCCCCCC(=O)C1=C(O)COC1=O |c:13|
Show InChI InChI=1S/C16H26O4/c1-2-3-4-5-6-7-8-9-10-11-13(17)15-14(18)12-20-16(15)19/h18H,2-12H2,1H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.20E+4n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Binding affinity to AgrC in Staphylococcus aureus assessed as disruption of membrane dipole potential by di-8-ANEPPS fluorescence assay


J Med Chem 57: 2813-9 (2014)


Article DOI: 10.1021/jm500215s
BindingDB Entry DOI: 10.7270/Q2XG9V4C
More data for this
Ligand-Target Pair
Sensory histidine kinase DcuS


(Staphylococcus aureus)
BDBM50497022
PNG
(CHEMBL1213657)
Show SMILES CCCCCCCCC\C(O)=C1\C(=O)N[C@@H](CCO)C1=O |r|
Show InChI InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(19)14-15(20)12(10-11-18)17-16(14)21/h12,18-19H,2-11H2,1H3,(H,17,21)/b14-13-/t12-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.22E+5n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Binding affinity to AgrC in Staphylococcus aureus assessed as disruption of membrane dipole potential by di-8-ANEPPS fluorescence assay


J Med Chem 57: 2813-9 (2014)


Article DOI: 10.1021/jm500215s
BindingDB Entry DOI: 10.7270/Q2XG9V4C
More data for this
Ligand-Target Pair
Sensory histidine kinase DcuS


(Staphylococcus aureus)
BDBM50497020
PNG
(CHEMBL3235590)
Show SMILES CCCCCCCCCCCCCC(=O)C1=C(O)COC1=O |c:15|
Show InChI InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(19)17-16(20)14-22-18(17)21/h20H,2-14H2,1H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.00E+3n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Binding affinity to AgrC in Staphylococcus aureus assessed as disruption of membrane dipole potential by di-8-ANEPPS fluorescence assay


J Med Chem 57: 2813-9 (2014)


Article DOI: 10.1021/jm500215s
BindingDB Entry DOI: 10.7270/Q2XG9V4C
More data for this
Ligand-Target Pair
Sensory histidine kinase DcuS


(Staphylococcus aureus)
BDBM50497021
PNG
(CHEMBL3235597)
Show SMILES CCCCCCCCCCCCC\C(O)=C1\C(=O)N[C@@H](CCO)C1=O |r|
Show InChI InChI=1S/C20H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(23)18-19(24)16(14-15-22)21-20(18)25/h16,22-23H,2-15H2,1H3,(H,21,25)/b18-17-/t16-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.00E+3n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Binding affinity to AgrC in Staphylococcus aureus assessed as disruption of membrane dipole potential by di-8-ANEPPS fluorescence assay


J Med Chem 57: 2813-9 (2014)


Article DOI: 10.1021/jm500215s
BindingDB Entry DOI: 10.7270/Q2XG9V4C
More data for this
Ligand-Target Pair
Sensory histidine kinase DcuS


(Staphylococcus aureus)
BDBM50497019
PNG
(CHEMBL3235588)
Show SMILES CCCCCCCCCC(=O)C1=C(O)COC1=O |c:11|
Show InChI InChI=1S/C14H22O4/c1-2-3-4-5-6-7-8-9-11(15)13-12(16)10-18-14(13)17/h16H,2-10H2,1H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.58E+5n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Binding affinity to AgrC in Staphylococcus aureus assessed as disruption of membrane dipole potential by di-8-ANEPPS fluorescence assay


J Med Chem 57: 2813-9 (2014)


Article DOI: 10.1021/jm500215s
BindingDB Entry DOI: 10.7270/Q2XG9V4C
More data for this
Ligand-Target Pair