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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'quinque' and Initial = 'g'   
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))
BDBM50510295
PNG
(CHEMBL4443422)
Show SMILES Cc1sc(cc1C(=O)N[C@@H](CN)c1ccccc1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C20H19ClN2OS/c1-13-16(11-19(25-13)15-9-5-6-10-17(15)21)20(24)23-18(12-22)14-7-3-2-4-8-14/h2-11,18H,12,22H2,1H3,(H,23,24)/t18-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50510288
PNG
(CHEMBL4445556)
Show SMILES NC[C@H](Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C21H17ClN2O2/c22-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(24-26-19)25-20(13-23)14-6-2-1-3-7-14/h1-12,20H,13,23H2/t20-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50510294
PNG
(CHEMBL4592805)
Show SMILES NC(=N)NC[C@H](Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C22H19ClN4O2/c23-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(27-29-19)28-20(13-26-22(24)25)14-6-2-1-3-7-14/h1-12,20H,13H2,(H4,24,25,26)/t20-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50510292
PNG
(CHEMBL4471339)
Show SMILES NC[C@H](Oc1noc2ncc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C20H16ClN3O2/c21-17-9-5-4-8-15(17)14-10-16-19(23-12-14)26-24-20(16)25-18(11-22)13-6-2-1-3-7-13/h1-10,12,18H,11,22H2/t18-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50510286
PNG
(CHEMBL4467227)
Show SMILES NCC(Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccn1
Show InChI InChI=1S/C20H16ClN3O2/c21-16-6-2-1-5-14(16)13-8-9-18-15(11-13)20(24-26-18)25-19(12-22)17-7-3-4-10-23-17/h1-11,19H,12,22H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50510289
PNG
(CHEMBL4588294)
Show SMILES NC[C@H](Oc1n[nH]c2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C21H18ClN3O/c22-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(25-24-19)26-20(13-23)14-6-2-1-3-7-14/h1-12,20H,13,23H2,(H,24,25)/t20-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50510293
PNG
(CHEMBL4528547)
Show SMILES NC[C@H](Oc1noc2ccc(nc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C20H16ClN3O2/c21-15-9-5-4-8-14(15)16-10-11-17-19(23-16)20(24-26-17)25-18(12-22)13-6-2-1-3-7-13/h1-11,18H,12,22H2/t18-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50510287
PNG
(CHEMBL4468900)
Show SMILES NC[C@@H](c1ccccc1)n1cnc2c(csc2c1=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C20H16ClN3OS/c21-16-9-5-4-8-14(16)15-11-26-19-18(15)23-12-24(20(19)25)17(10-22)13-6-2-1-3-7-13/h1-9,11-12,17H,10,22H2/t17-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50510290
PNG
(CHEMBL4583055)
Show SMILES NCC(Nc1n[nH]c2ccc(cc12)-c1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C21H19ClN4/c22-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(26-25-19)24-20(13-23)14-6-2-1-3-7-14/h1-12,20H,13,23H2,(H2,24,25,26)
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n/an/a 3.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50510293
PNG
(CHEMBL4528547)
Show SMILES NC[C@H](Oc1noc2ccc(nc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C20H16ClN3O2/c21-15-9-5-4-8-14(15)16-10-11-17-19(23-16)20(24-26-17)25-18(12-22)13-6-2-1-3-7-13/h1-11,18H,12,22H2/t18-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ERG by QPatch assay


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50510296
PNG
(CHEMBL4592804)
Show SMILES Cn1nc(O[C@@H](CN)c2ccccc2)c2cc(ccc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C22H20ClN3O/c1-26-20-12-11-16(17-9-5-6-10-19(17)23)13-18(20)22(25-26)27-21(14-24)15-7-3-2-4-8-15/h2-13,21H,14,24H2,1H3/t21-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50510295
PNG
(CHEMBL4443422)
Show SMILES Cc1sc(cc1C(=O)N[C@@H](CN)c1ccccc1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C20H19ClN2OS/c1-13-16(11-19(25-13)15-9-5-6-10-17(15)21)20(24)23-18(12-22)14-7-3-2-4-8-14/h2-11,18H,12,22H2,1H3,(H,23,24)/t18-/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ERG by QPatch assay


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50510291
PNG
(CHEMBL4553177)
Show SMILES Cn1nc(NC(CN)c2ccccc2)c2cc(ccc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN4/c1-27-21-12-11-16(17-9-5-6-10-19(17)23)13-18(21)22(26-27)25-20(14-24)15-7-3-2-4-8-15/h2-13,20H,14,24H2,1H3,(H,25,26)
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n/an/a 7.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50510294
PNG
(CHEMBL4592805)
Show SMILES NC(=N)NC[C@H](Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C22H19ClN4O2/c23-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(27-29-19)28-20(13-26-22(24)25)14-6-2-1-3-7-14/h1-12,20H,13H2,(H4,24,25,26)/t20-/m0/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ERG by QPatch assay


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50510297
PNG
(CHEMBL4577405)
Show SMILES NC[C@H](Nc1nccc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C23H20ClN3/c24-21-9-5-4-8-19(21)18-11-10-16-12-13-26-23(20(16)14-18)27-22(15-25)17-6-2-1-3-7-17/h1-14,22H,15,25H2,(H,26,27)/t22-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50510295
PNG
(CHEMBL4443422)
Show SMILES Cc1sc(cc1C(=O)N[C@@H](CN)c1ccccc1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C20H19ClN2OS/c1-13-16(11-19(25-13)15-9-5-6-10-17(15)21)20(24)23-18(12-22)14-7-3-2-4-8-14/h2-11,18H,12,22H2,1H3,(H,23,24)/t18-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in HEK293 cells assessed as decrease in sodium current amplitude at -120 mV holding potential by Qpatch assay


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50510293
PNG
(CHEMBL4528547)
Show SMILES NC[C@H](Oc1noc2ccc(nc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C20H16ClN3O2/c21-15-9-5-4-8-14(15)16-10-11-17-19(23-16)20(24-26-17)25-18(12-22)13-6-2-1-3-7-13/h1-11,18H,12,22H2/t18-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in HEK293 cells assessed as decrease in sodium current amplitude at -120 mV holding potential by Qpatch assay


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50510288
PNG
(CHEMBL4445556)
Show SMILES NC[C@H](Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C21H17ClN2O2/c22-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(24-26-19)25-20(13-23)14-6-2-1-3-7-14/h1-12,20H,13,23H2/t20-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in HEK293 cells assessed as decrease in sodium current amplitude at -120 mV holding potential by Qpatch assay


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50510288
PNG
(CHEMBL4445556)
Show SMILES NC[C@H](Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C21H17ClN2O2/c22-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(24-26-19)25-20(13-23)14-6-2-1-3-7-14/h1-12,20H,13,23H2/t20-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ERG by QPatch assay


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50510292
PNG
(CHEMBL4471339)
Show SMILES NC[C@H](Oc1noc2ncc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C20H16ClN3O2/c21-17-9-5-4-8-15(17)14-10-16-19(23-12-14)26-24-20(16)25-18(11-22)13-6-2-1-3-7-13/h1-10,12,18H,11,22H2/t18-/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in HEK293 cells assessed as decrease in sodium current amplitude at -120 mV holding potential by Qpatch assay


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50510288
PNG
(CHEMBL4445556)
Show SMILES NC[C@H](Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C21H17ClN2O2/c22-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(24-26-19)25-20(13-23)14-6-2-1-3-7-14/h1-12,20H,13,23H2/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.10E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2 alpha using interlinked kDNA as substrate after 30 mins by ethidium bromide staining-based agarose gel electr...


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair