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PubMed code 26432604

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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
Protein translocase subunit SecA 1


(Staphylococcus aureus (strain NCTC 8325))
BDBM50498947
PNG
(Rose bengal sodium)
Show SMILES [O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12
Show InChI InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)/p-2
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UniChem
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PubMed
n/an/a 500n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 35556 SecA1 liposomal ion channel activity in Xenopus laevis oocytes incubated for 3 hrs measured by recordi...


Bioorg Med Chem 23: 7061-8 (2015)


Article DOI: 10.1016/j.bmc.2015.09.027
BindingDB Entry DOI: 10.7270/Q2WS8X7Z
More data for this
Ligand-Target Pair
Protein translocase subunit SecA 1


(Staphylococcus aureus (strain NCTC 8325))
BDBM50498947
PNG
(Rose bengal sodium)
Show SMILES [O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12
Show InChI InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)/p-2
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UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 35556 SecA1 expressed in Escherichia coli BL21-gammaDE3 assessed as reduction in intrinsic ATPase activity i...


Bioorg Med Chem 23: 7061-8 (2015)


Article DOI: 10.1016/j.bmc.2015.09.027
BindingDB Entry DOI: 10.7270/Q2WS8X7Z
More data for this
Ligand-Target Pair
Protein translocase subunit SecA 1


(Staphylococcus aureus (strain NCTC 8325))
BDBM50498946
PNG
(CHEMBL3735815)
Show SMILES CCCCCCC1c2ccc(O)cc2Oc2cc(O)ccc12
Show InChI InChI=1S/C19H22O3/c1-2-3-4-5-6-15-16-9-7-13(20)11-18(16)22-19-12-14(21)8-10-17(15)19/h7-12,15,20-21H,2-6H2,1H3
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UniChem
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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 35556 SecA1 liposomal ion channel activity in Xenopus laevis oocytes incubated for 3 hrs measured by recordi...


Bioorg Med Chem 23: 7061-8 (2015)


Article DOI: 10.1016/j.bmc.2015.09.027
BindingDB Entry DOI: 10.7270/Q2WS8X7Z
More data for this
Ligand-Target Pair
Protein translocase subunit SecA 2


(Staphylococcus aureus (strain NCTC 8325))
BDBM50498947
PNG
(Rose bengal sodium)
Show SMILES [O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12
Show InChI InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)/p-2
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UniChem
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 35556 SecA2 expressed in Escherichia coli BL21-gammaDE3 assessed as reduction in intrinsic ATPase activity i...


Bioorg Med Chem 23: 7061-8 (2015)


Article DOI: 10.1016/j.bmc.2015.09.027
BindingDB Entry DOI: 10.7270/Q2WS8X7Z
More data for this
Ligand-Target Pair
Protein translocase subunit SecA 1


(Staphylococcus aureus (strain NCTC 8325))
BDBM50498948
PNG
(CHEMBL3736159)
Show SMILES Oc1ccc2C(C3CCCC3)c3ccc(O)cc3Oc2c1
Show InChI InChI=1S/C18H18O3/c19-12-5-7-14-16(9-12)21-17-10-13(20)6-8-15(17)18(14)11-3-1-2-4-11/h5-11,18-20H,1-4H2
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 35556 SecA1 liposomal ion channel activity in Xenopus laevis oocytes incubated for 3 hrs measured by recordi...


Bioorg Med Chem 23: 7061-8 (2015)


Article DOI: 10.1016/j.bmc.2015.09.027
BindingDB Entry DOI: 10.7270/Q2WS8X7Z
More data for this
Ligand-Target Pair
Protein translocase subunit SecA 1


(Staphylococcus aureus (strain NCTC 8325))
BDBM50498946
PNG
(CHEMBL3735815)
Show SMILES CCCCCCC1c2ccc(O)cc2Oc2cc(O)ccc12
Show InChI InChI=1S/C19H22O3/c1-2-3-4-5-6-15-16-9-7-13(20)11-18(16)22-19-12-14(21)8-10-17(15)19/h7-12,15,20-21H,2-6H2,1H3
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UniChem
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 35556 SecA1 liposome dependent proOmpA translocation incubated for 1.5 hrs measured by Western blot analysis


Bioorg Med Chem 23: 7061-8 (2015)


Article DOI: 10.1016/j.bmc.2015.09.027
BindingDB Entry DOI: 10.7270/Q2WS8X7Z
More data for this
Ligand-Target Pair
Protein translocase subunit SecA 2


(Staphylococcus aureus (strain NCTC 8325))
BDBM50498946
PNG
(CHEMBL3735815)
Show SMILES CCCCCCC1c2ccc(O)cc2Oc2cc(O)ccc12
Show InChI InChI=1S/C19H22O3/c1-2-3-4-5-6-15-16-9-7-13(20)11-18(16)22-19-12-14(21)8-10-17(15)19/h7-12,15,20-21H,2-6H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 35556 SecA2 expressed in Escherichia coli BL21-gammaDE3 assessed as reduction in intrinsic ATPase activity i...


Bioorg Med Chem 23: 7061-8 (2015)


Article DOI: 10.1016/j.bmc.2015.09.027
BindingDB Entry DOI: 10.7270/Q2WS8X7Z
More data for this
Ligand-Target Pair
Protein translocase subunit SecA 1


(Staphylococcus aureus (strain NCTC 8325))
BDBM50498946
PNG
(CHEMBL3735815)
Show SMILES CCCCCCC1c2ccc(O)cc2Oc2cc(O)ccc12
Show InChI InChI=1S/C19H22O3/c1-2-3-4-5-6-15-16-9-7-13(20)11-18(16)22-19-12-14(21)8-10-17(15)19/h7-12,15,20-21H,2-6H2,1H3
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 35556 SecA1 expressed in Escherichia coli BL21-gammaDE3 assessed as reduction in intrinsic ATPase activity i...


Bioorg Med Chem 23: 7061-8 (2015)


Article DOI: 10.1016/j.bmc.2015.09.027
BindingDB Entry DOI: 10.7270/Q2WS8X7Z
More data for this
Ligand-Target Pair
Protein translocase subunit SecA 2


(Staphylococcus aureus (strain NCTC 8325))
BDBM50498948
PNG
(CHEMBL3736159)
Show SMILES Oc1ccc2C(C3CCCC3)c3ccc(O)cc3Oc2c1
Show InChI InChI=1S/C18H18O3/c19-12-5-7-14-16(9-12)21-17-10-13(20)6-8-15(17)18(14)11-3-1-2-4-11/h5-11,18-20H,1-4H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 35556 SecA2 expressed in Escherichia coli BL21-gammaDE3 assessed as reduction in intrinsic ATPase activity i...


Bioorg Med Chem 23: 7061-8 (2015)


Article DOI: 10.1016/j.bmc.2015.09.027
BindingDB Entry DOI: 10.7270/Q2WS8X7Z
More data for this
Ligand-Target Pair
Protein translocase subunit SecA 1


(Staphylococcus aureus (strain NCTC 8325))
BDBM50498948
PNG
(CHEMBL3736159)
Show SMILES Oc1ccc2C(C3CCCC3)c3ccc(O)cc3Oc2c1
Show InChI InChI=1S/C18H18O3/c19-12-5-7-14-16(9-12)21-17-10-13(20)6-8-15(17)18(14)11-3-1-2-4-11/h5-11,18-20H,1-4H2
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 35556 SecA1 expressed in Escherichia coli BL21-gammaDE3 assessed as reduction in intrinsic ATPase activity i...


Bioorg Med Chem 23: 7061-8 (2015)


Article DOI: 10.1016/j.bmc.2015.09.027
BindingDB Entry DOI: 10.7270/Q2WS8X7Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%