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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA Gyrase Subunit B' and Monomerid = 50330301   
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 Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330301
PNG
((3R,4S,5R,6R)-6-(3-((E)-3-(3-chloro-4-hydroxypheny...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccc(O)c(Cl)c4)c(=O)oc3c2)OC1(C)C
Show InChI InChI=1S/C32H31ClN2O11/c1-15-5-10-20(34-15)29(40)45-27-26(39)31(46-32(2,3)28(27)42-4)43-17-8-9-18-22(14-17)44-30(41)24(25(18)38)35-23(37)12-7-16-6-11-21(36)19(33)13-16/h5-14,26-28,31,34,36,38-39H,1-4H3,(H,35,37)/b12-7+/t26-,27+,28-,31-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 276n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)


Article DOI: 10.1128/AAC.01235-07
BindingDB Entry DOI: 10.7270/Q2PG1S0J
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330301
PNG
((3R,4S,5R,6R)-6-(3-((E)-3-(3-chloro-4-hydroxypheny...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccc(O)c(Cl)c4)c(=O)oc3c2)OC1(C)C
Show InChI InChI=1S/C32H31ClN2O11/c1-15-5-10-20(34-15)29(40)45-27-26(39)31(46-32(2,3)28(27)42-4)43-17-8-9-18-22(14-17)44-30(41)24(25(18)38)35-23(37)12-7-16-6-11-21(36)19(33)13-16/h5-14,26-28,31,34,36,38-39H,1-4H3,(H,35,37)/b12-7+/t26-,27+,28-,31-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)


Article DOI: 10.1128/AAC.01235-07
BindingDB Entry DOI: 10.7270/Q2PG1S0J
More data for this
Ligand-Target Pair