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PDB code 4OVH

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 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
DNA polymerase III subunit beta

  (366/366 = 100%)
(Escherichia coli (strain K12))
BDBM50096606
PNG
(CHEMBL3577279)
Show SMILES OC(=O)CNC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O
Show InChI InChI=1S/C17H17BrN2O5/c18-10-2-4-13-12(6-10)11-3-1-9(17(24)25)5-14(11)20(13)8-15(21)19-7-16(22)23/h2,4,6,9H,1,3,5,7-8H2,(H,19,21)(H,22,23)(H,24,25)/t9-/m1/s1
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UniProtKB/SwissProt

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PC sid
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Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


J Med Chem 58: 4693-702 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase III subunit beta

  (366/366 = 100%)
(Escherichia coli (strain K12))
BDBM50096606
PNG
(CHEMBL3577279)
Show SMILES OC(=O)CNC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O
Show InChI InChI=1S/C17H17BrN2O5/c18-10-2-4-13-12(6-10)11-3-1-9(17(24)25)5-14(11)20(13)8-15(21)19-7-16(22)23/h2,4,6,9H,1,3,5,7-8H2,(H,19,21)(H,22,23)(H,24,25)/t9-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


J Med Chem 58: 4693-702 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase III subunit beta

  (366/366 = 100%)
(Escherichia coli (strain K12))
BDBM50096606
PNG
(CHEMBL3577279)
Show SMILES OC(=O)CNC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O
Show InChI InChI=1S/C17H17BrN2O5/c18-10-2-4-13-12(6-10)11-3-1-9(17(24)25)5-14(11)20(13)8-15(21)19-7-16(22)23/h2,4,6,9H,1,3,5,7-8H2,(H,19,21)(H,22,23)(H,24,25)/t9-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 1.40E+4n/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DNA sliding clamp protein at 298K by isothermal titration calorimetry


J Med Chem 58: 4693-702 (2015)

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