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Compile Data Set for Download or QSAR

Found 7 hits of kd for UniProtKB: P0AES4   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50095287
PNG
(CHEMBL3085880)
Show SMILES Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Show InChI InChI=1S/C18H12Cl2N4OS/c1-25-10-2-3-11-12(6-10)17(18-22-4-5-26-18)24-23-16(11)7-13-14(19)8-21-9-15(13)20/h2-6,8-9H,7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.00E+3n/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50095254
PNG
(CHEMBL3589530)
Show SMILES COC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Show InChI InChI=1/C16H16Br2N4O4S/c1-26-13(24)6-12(23)22-16-21-9-3-2-7(4-11(9)27-16)19-15(25)10-5-8(17)14(18)20-10/h5,7,20H,2-4,6H2,1H3,(H,19,25)(H,21,22,23)/t7-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 72n/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50095290
PNG
(CHEMBL3589531)
Show SMILES COC(=O)CCC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Show InChI InChI=1S/C17H12Cl2N6O/c1-26-10-2-3-11-12(4-10)17(25-9-21-8-22-25)24-23-16(11)5-13-14(18)6-20-7-15(13)19/h2-4,6-9H,5H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

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



University of Ljubljana

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50095211
PNG
(CHEMBL3589079)
Show SMILES OC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Cl)c(Cl)[nH]1 |r|
Show InChI InChI=1/C15H14Cl2N4O4S/c16-7-4-9(19-13(7)17)14(25)18-6-1-2-8-10(3-6)26-15(20-8)21-11(22)5-12(23)24/h4,6,19H,1-3,5H2,(H,18,25)(H,23,24)(H,20,21,22)/t6-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 49n/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50095149
PNG
(CHEMBL3589536)
Show SMILES OC(=O)CCC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Show InChI InChI=1S/C16H11N3O5/c20-12(21)4-7-1-2-9-8(3-7)5-11-13(9)18-15(22)14-17-10(16(23)24)6-19(11)14/h1-3,6H,4-5H2,(H,18,22)(H,20,21)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/a 10n/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50095208
PNG
(CHEMBL3589076)
Show SMILES COC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Cl)c(Cl)[nH]1 |r|
Show InChI InChI=1/C16H16Cl2N4O4S/c1-26-13(24)6-12(23)22-16-21-9-3-2-7(4-11(9)27-16)19-15(25)10-5-8(17)14(18)20-10/h5,7,20H,2-4,6H2,1H3,(H,19,25)(H,21,22,23)/t7-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 50n/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50095148
PNG
(CHEMBL3589535)
Show SMILES OC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Show InChI InChI=1S/C17H13N3O5/c21-13(22)4-8-2-1-3-10-11(8)6-12-15(10)19-17(25)16-18-9(5-14(23)24)7-20(12)16/h1-3,7H,4-6H2,(H,19,25)(H,21,22)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/a 42n/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
More data for this
Ligand-Target Pair