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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 = 50330305   
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))
BDBM50330305
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2)OC1(C)C
Show InChI InChI=1S/C31H32N2O12/c1-14-6-10-18(32-14)28(38)44-25-24(36)30(45-31(2,3)26(25)41-5)42-16-8-9-17-20(13-16)43-29(39)22(23(17)35)33-27(37)15-7-11-19(34)21(12-15)40-4/h6-13,24-26,30,32,34-36H,1-5H3,(H,33,37)/t24-,25+,26-,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 75n/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
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330305
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2)OC1(C)C
Show InChI InChI=1S/C31H32N2O12/c1-14-6-10-18(32-14)28(38)44-25-24(36)30(45-31(2,3)26(25)41-5)42-16-8-9-17-20(13-16)43-29(39)22(23(17)35)33-27(37)15-7-11-19(34)21(12-15)40-4/h6-13,24-26,30,32,34-36H,1-5H3,(H,33,37)/t24-,25+,26-,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 185n/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