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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Accessory gene regulator protein A'   
Target
(Institution)
LigandTarget
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
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50020375
PNG
(CHEMBL3289785)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CSC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C
Show InChI InChI=1S/C38H58N10O12S/c1-18(2)11-22-33(55)44-24(12-21-9-7-6-8-10-21)38(60)61-17-27(36(58)46-26(16-50)35(57)45-25(15-49)34(56)42-22)47-31(53)20(5)41-32(54)23(13-28(40)51)43-37(59)30(19(3)4)48-29(52)14-39/h6-10,18-20,22-27,30,49-50H,11-17,39H2,1-5H3,(H2,40,51)(H,41,54)(H,42,56)(H,43,59)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,52)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)

More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50351512
PNG
(CHEMBL8483)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
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PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus RN6390B Agr-mediated RNA3 promoter activation measured up to 6 hrs by Northern blot analysis


J Med Chem 56: 1389-404 (2013)

More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50020376
PNG
(CHEBI:81348 | CHEMBL290932)
Show SMILES OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2
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KEGG
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PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)

More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50020377
PNG
(CHEMBL3289786)
Show SMILES C[C@H](O)Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C17H14O6/c1-7(18)2-8-3-10-14(12(20)4-8)17(23)15-11(16(10)22)5-9(19)6-13(15)21/h3-7,18-21H,2H2,1H3/t7-/m0/s1
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PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)

More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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PubMed
n/an/a 1.71E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)

More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50020378
PNG
(CHEMBL3289787)
Show SMILES CC(=O)Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C17H12O6/c1-7(18)2-8-3-10-14(12(20)4-8)17(23)15-11(16(10)22)5-9(19)6-13(15)21/h3-6,19-21H,2H2,1H3
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n/an/a 1.98E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)

More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50020379
PNG
(CHEMBL3289788)
Show SMILES C[C@@H](O)[C@@H](O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C17H14O7/c1-6(18)15(22)7-2-9-13(11(20)3-7)17(24)14-10(16(9)23)4-8(19)5-12(14)21/h2-6,15,18-22H,1H3/t6-,15-/m1/s1
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PubMed
n/an/a 2.65E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)

More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50020380
PNG
(CHEMBL3289789)
Show SMILES CC(=O)C(O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C17H12O7/c1-6(18)15(22)7-2-9-13(11(20)3-7)17(24)14-10(16(9)23)4-8(19)5-12(14)21/h2-5,15,19-22H,1H3
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n/an/a 3.01E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)

More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM115127
PNG
(4,5,7-trihydroxy-9,10-diketo-anthracene-2-carboxyl...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)
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n/an/a 3.06E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)

More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50312649
PNG
(6-chloro-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroa...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)c(Cl)c(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H7ClO7/c16-11-8(18)3-6-10(14(11)21)13(20)9-5(12(6)19)1-4(15(22)23)2-7(9)17/h1-3,17-18,21H,(H,22,23)
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PubMed
n/an/a 3.78E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)

More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50020389
PNG
(CHEMBL3289790)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)c(O)c(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H8O8/c16-7-2-4(15(22)23)1-5-9(7)13(20)10-6(11(5)18)3-8(17)12(19)14(10)21/h1-3,16-17,19,21H,(H,22,23)
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n/an/a 1.20E+5n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)

More data for this
Ligand-Target Pair