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Compile Data Set for Download or QSAR

Found 3 hits of kd data for polymerid = 50006171   
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 ligase


(Staphylococcus aureus)
BDBM50444582
PNG
(CHEMBL3099715)
Show SMILES OCCNc1cc(nc(n1)-c1n[nH]c2cnccc12)C(F)(F)F
Show InChI InChI=1S/C13H11F3N6O/c14-13(15,16)9-5-10(18-3-4-23)20-12(19-9)11-7-1-2-17-6-8(7)21-22-11/h1-2,5-6,23H,3-4H2,(H,21,22)(H,18,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 25n/an/an/an/an/a


TBA

Assay Description
Binding affinity to C-terminal 6xHis-tagged Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) by ITC assay


Citation and Details

Article DOI: 10.1021/ml4003277
BindingDB Entry DOI: 10.7270/Q2J967V2
More data for this
Ligand-Target Pair
DNA ligase


(Staphylococcus aureus)
BDBM50444578
PNG
(CHEMBL3099706)
Show SMILES Clc1cccc(n1)-c1nnc[nH]1
Show InChI InChI=1S/C7H5ClN4/c8-6-3-1-2-5(11-6)7-9-4-10-12-7/h1-4H,(H,9,10,12)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to C-terminal 6xHis-tagged Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) by ITC assay


Citation and Details

Article DOI: 10.1021/ml4003277
BindingDB Entry DOI: 10.7270/Q2J967V2
More data for this
Ligand-Target Pair
DNA ligase


(Staphylococcus aureus)
BDBM50444576
PNG
(CHEMBL3099705)
Show SMILES Clc1cncc(n1)-c1nnc[nH]1
Show InChI InChI=1S/C6H4ClN5/c7-5-2-8-1-4(11-5)6-9-3-10-12-6/h1-3H,(H,9,10,12)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.80E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to C-terminal 6xHis-tagged Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) by ITC assay


Citation and Details

Article DOI: 10.1021/ml4003277
BindingDB Entry DOI: 10.7270/Q2J967V2
More data for this
Ligand-Target Pair