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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'staczek' and Initial = 'p'   
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 A/B


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase after 1 hr by agarose gel electrophoresis


Eur J Med Chem 97: 94-103 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.058
BindingDB Entry DOI: 10.7270/Q2ZG6TZW
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50083356
PNG
(CHEMBL2313966)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(O)c5)n(-c5cc(Cl)cc(Cl)c5)c4=S)CC3)c(F)cc2c1=O
Show InChI InChI=1S/C32H27Cl2FN6O4S/c33-19-11-20(34)13-22(12-19)41-30(18-2-1-3-23(42)10-18)36-40(32(41)46)17-37-6-8-38(9-7-37)28-15-27-24(14-26(28)35)29(43)25(31(44)45)16-39(27)21-4-5-21/h1-3,10-16,21,42H,4-9,17H2,(H,44,45)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.05E+3n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase after 1 hr by agarose gel electrophoresis


Eur J Med Chem 97: 94-103 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.058
BindingDB Entry DOI: 10.7270/Q2ZG6TZW
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50083358
PNG
(CHEMBL2313969)
Show SMILES CCCc1nn(CN2CCN(CC2)c2cc3n(cc(C(O)=O)c(=O)c3cc2F)C2CC2)c(=S)n1-c1cccc(I)c1
Show InChI InChI=1S/C29H30FIN6O3S/c1-2-4-26-32-36(29(41)37(26)20-6-3-5-18(31)13-20)17-33-9-11-34(12-10-33)25-15-24-21(14-23(25)30)27(38)22(28(39)40)16-35(24)19-7-8-19/h3,5-6,13-16,19H,2,4,7-12,17H2,1H3,(H,39,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.28E+3n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase after 1 hr by agarose gel electrophoresis


Eur J Med Chem 97: 94-103 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.058
BindingDB Entry DOI: 10.7270/Q2ZG6TZW
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50083357
PNG
(CHEMBL2313964)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(O)c5)n(-c5cccc(I)c5)c4=S)CC3)c(F)cc2c1=O
Show InChI InChI=1S/C32H28FIN6O4S/c33-26-15-24-27(38(21-7-8-21)17-25(29(24)42)31(43)44)16-28(26)37-11-9-36(10-12-37)18-39-32(45)40(22-5-2-4-20(34)14-22)30(35-39)19-3-1-6-23(41)13-19/h1-6,13-17,21,41H,7-12,18H2,(H,43,44)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.78E+3n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase after 1 hr by agarose gel electrophoresis


Eur J Med Chem 97: 94-103 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.058
BindingDB Entry DOI: 10.7270/Q2ZG6TZW
More data for this
Ligand-Target Pair