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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with Target = 'Receptor-histidine kinase AgrC'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151876
PNG
(CHEMBL182783 | GVNACSSLF)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H60N10O13S/c1-18(2)11-22(33(55)44-24(38(60)61)12-21-9-7-6-8-10-21)42-34(56)25(15-49)45-35(57)26(16-50)46-36(58)27(17-62)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/h6-10,18-20,22-27,30,49-50,62H,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)(H,60,61)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Effective concentration to antagonise accessory gene regulator C2 of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151880
PNG
(CHEMBL426697 | YSTCYFIM)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C48H66N8O13S2/c1-5-26(2)39(46(66)50-34(48(68)69)19-20-71-4)55-43(63)36(22-28-9-7-6-8-10-28)51-42(62)35(23-30-13-17-32(60)18-14-30)52-45(65)38(25-70)54-47(67)40(27(3)58)56-44(64)37(24-57)53-41(61)33(49)21-29-11-15-31(59)16-12-29/h6-18,26-27,33-40,57-60,70H,5,19-25,49H2,1-4H3,(H,50,66)(H,51,62)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,64)(H,68,69)/t26-,27+,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Effective concentration to antagonise accessory gene regulator C4 of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151879
PNG
(2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-pentanoylamino)...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H60N8O11S/c1-7-21(6)31(40)37(55)44-25(16-29(39)47)34(52)46-28(18-58)36(54)43-26(17-30(48)49)35(53)42-24(15-22-11-9-8-10-12-22)33(51)41-23(13-19(2)3)32(50)45-27(38(56)57)14-20(4)5/h8-12,19-21,23-28,31,58H,7,13-18,40H2,1-6H3,(H2,39,47)(H,41,51)(H,42,53)(H,43,54)(H,44,55)(H,45,50)(H,46,52)(H,48,49)(H,56,57)/t21-,23-,24-,25-,26-,27-,28-,31-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Effective concentration to antagonise accessory gene regulator C3 of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151882
PNG
(CHEMBL425533 | [15-(2-{2-[2-Amino-3-(4-hydroxy-phe...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSC(=O)[C@@H](C)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O
Show InChI InChI=1S/C41H56N8O13S/c1-5-20(2)32-39(60)43-21(3)41(62)63-19-30(38(59)45-28(17-31(53)54)35(56)44-27(36(57)48-32)16-23-9-7-6-8-10-23)47-40(61)33(22(4)51)49-37(58)29(18-50)46-34(55)26(42)15-24-11-13-25(52)14-12-24/h6-14,20-22,26-30,32-33,50-52H,5,15-19,42H2,1-4H3,(H,43,60)(H,44,56)(H,45,59)(H,46,55)(H,47,61)(H,48,57)(H,49,58)(H,53,54)/t20-,21+,22+,26-,27+,28-,29-,30-,32-,33-/m0/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Effective concentration to antagonise accessory gene regulator C1 of Staphylococcus aureus; range = 9-11 uM


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151874
PNG
(CHEMBL362838 | Tyr-Ser-Thr-cyclo(Cys-Ala-Phe-Ile-M...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O
Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30+,31-,32-,33-,34-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151875
PNG
(CHEMBL369309 | N-(3-Benzyl-9,12-bis-hydroxymethyl-...)
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(C)=O
Show InChI InChI=1S/C26H37N5O8S/c1-14(2)9-17-22(35)29-18(10-16-7-5-4-6-8-16)26(39)40-13-21(27-15(3)34)25(38)31-20(12-33)24(37)30-19(11-32)23(36)28-17/h4-8,14,17-21,32-33H,9-13H2,1-3H3,(H,27,34)(H,28,36)(H,29,35)(H,30,37)(H,31,38)/t17-,18+,19+,20-,21-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151871
PNG
(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...)
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](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O
Show InChI InChI=1S/C40H56N8O13S/c1-20(2)13-26-34(55)43-27(15-22-7-5-4-6-8-22)40(61)62-19-31(38(59)46-29(17-50)36(57)45-28(16-49)35(56)42-26)47-39(60)32(21(3)52)48-37(58)30(18-51)44-33(54)25(41)14-23-9-11-24(53)12-10-23/h4-12,20-21,25-32,49-53H,13-19,41H2,1-3H3,(H,42,56)(H,43,55)(H,44,54)(H,45,57)(H,46,59)(H,47,60)(H,48,58)/t21-,25+,26-,27+,28+,29-,30+,31-,32+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151874
PNG
(CHEMBL362838 | Tyr-Ser-Thr-cyclo(Cys-Ala-Phe-Ile-M...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O
Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30+,31-,32-,33-,34-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151876
PNG
(CHEMBL182783 | GVNACSSLF)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H60N10O13S/c1-18(2)11-22(33(55)44-24(38(60)61)12-21-9-7-6-8-10-21)42-34(56)25(15-49)45-35(57)26(16-50)46-36(58)27(17-62)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/h6-10,18-20,22-27,30,49-50,62H,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)(H,60,61)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1
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n/an/a 86n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to antagonise accessory gene regulator C4 of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151876
PNG
(CHEMBL182783 | GVNACSSLF)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H60N10O13S/c1-18(2)11-22(33(55)44-24(38(60)61)12-21-9-7-6-8-10-21)42-34(56)25(15-49)45-35(57)26(16-50)46-36(58)27(17-62)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/h6-10,18-20,22-27,30,49-50,62H,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)(H,60,61)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonistic concentration for accessory gene regulator C1 of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151878
PNG
(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O
Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30-,31-,32-,33-,34-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151881
PNG
(CHEMBL362839 | Cyclo(Ac-Cys-Asp-Phe-Ile-Met))
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSC(=O)[C@H](CCSC)NC1=O)NC(C)=O
Show InChI InChI=1S/C29H41N5O8S2/c1-5-16(2)24-28(41)31-19(11-12-43-4)29(42)44-15-22(30-17(3)35)27(40)33-21(14-23(36)37)25(38)32-20(26(39)34-24)13-18-9-7-6-8-10-18/h6-10,16,19-22,24H,5,11-15H2,1-4H3,(H,30,35)(H,31,41)(H,32,38)(H,33,40)(H,34,39)(H,36,37)/t16-,19-,20-,21+,22+,24+/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151879
PNG
(2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-pentanoylamino)...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H60N8O11S/c1-7-21(6)31(40)37(55)44-25(16-29(39)47)34(52)46-28(18-58)36(54)43-26(17-30(48)49)35(53)42-24(15-22-11-9-8-10-12-22)33(51)41-23(13-19(2)3)32(50)45-27(38(56)57)14-20(4)5/h8-12,19-21,23-28,31,58H,7,13-18,40H2,1-6H3,(H2,39,47)(H,41,51)(H,42,53)(H,43,54)(H,44,55)(H,45,50)(H,46,52)(H,48,49)(H,56,57)/t21-,23-,24-,25-,26-,27-,28-,31-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to antagonise accessory gene regulator C4 of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151880
PNG
(CHEMBL426697 | YSTCYFIM)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C48H66N8O13S2/c1-5-26(2)39(46(66)50-34(48(68)69)19-20-71-4)55-43(63)36(22-28-9-7-6-8-10-28)51-42(62)35(23-30-13-17-32(60)18-14-30)52-45(65)38(25-70)54-47(67)40(27(3)58)56-44(64)37(24-57)53-41(61)33(49)21-29-11-15-31(59)16-12-29/h6-18,26-27,33-40,57-60,70H,5,19-25,49H2,1-4H3,(H,50,66)(H,51,62)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,64)(H,68,69)/t26-,27+,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonistic concentration for accessory gene regulator C1 of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151877
PNG
(CHEMBL182114 | N-[9-Benzyl-6-sec-butyl-12-methyl-3...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(C)=O
Show InChI InChI=1S/C28H41N5O6S2/c1-6-16(2)23-27(38)31-20(12-13-40-5)28(39)41-15-22(30-18(4)34)26(37)29-17(3)24(35)32-21(25(36)33-23)14-19-10-8-7-9-11-19/h7-11,16-17,20-23H,6,12-15H2,1-5H3,(H,29,37)(H,30,34)(H,31,38)(H,32,35)(H,33,36)/t16-,17-,20+,21+,22-,23-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151879
PNG
(2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-pentanoylamino)...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H60N8O11S/c1-7-21(6)31(40)37(55)44-25(16-29(39)47)34(52)46-28(18-58)36(54)43-26(17-30(48)49)35(53)42-24(15-22-11-9-8-10-12-22)33(51)41-23(13-19(2)3)32(50)45-27(38(56)57)14-20(4)5/h8-12,19-21,23-28,31,58H,7,13-18,40H2,1-6H3,(H2,39,47)(H,41,51)(H,42,53)(H,43,54)(H,44,55)(H,45,50)(H,46,52)(H,48,49)(H,56,57)/t21-,23-,24-,25-,26-,27-,28-,31-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonistic concentration for accessory gene regulator C1 of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151879
PNG
(2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-pentanoylamino)...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H60N8O11S/c1-7-21(6)31(40)37(55)44-25(16-29(39)47)34(52)46-28(18-58)36(54)43-26(17-30(48)49)35(53)42-24(15-22-11-9-8-10-12-22)33(51)41-23(13-19(2)3)32(50)45-27(38(56)57)14-20(4)5/h8-12,19-21,23-28,31,58H,7,13-18,40H2,1-6H3,(H2,39,47)(H,41,51)(H,42,53)(H,43,54)(H,44,55)(H,45,50)(H,46,52)(H,48,49)(H,56,57)/t21-,23-,24-,25-,26-,27-,28-,31-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to antagonise accessory gene regulator C2 of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151880
PNG
(CHEMBL426697 | YSTCYFIM)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C48H66N8O13S2/c1-5-26(2)39(46(66)50-34(48(68)69)19-20-71-4)55-43(63)36(22-28-9-7-6-8-10-28)51-42(62)35(23-30-13-17-32(60)18-14-30)52-45(65)38(25-70)54-47(67)40(27(3)58)56-44(64)37(24-57)53-41(61)33(49)21-29-11-15-31(59)16-12-29/h6-18,26-27,33-40,57-60,70H,5,19-25,49H2,1-4H3,(H,50,66)(H,51,62)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,64)(H,68,69)/t26-,27+,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to antagonise accessory gene regulator C3 of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151878
PNG
(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O
Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30-,31-,32-,33-,34-/m0/s1
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n/an/a 256n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151880
PNG
(CHEMBL426697 | YSTCYFIM)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C48H66N8O13S2/c1-5-26(2)39(46(66)50-34(48(68)69)19-20-71-4)55-43(63)36(22-28-9-7-6-8-10-28)51-42(62)35(23-30-13-17-32(60)18-14-30)52-45(65)38(25-70)54-47(67)40(27(3)58)56-44(64)37(24-57)53-41(61)33(49)21-29-11-15-31(59)16-12-29/h6-18,26-27,33-40,57-60,70H,5,19-25,49H2,1-4H3,(H,50,66)(H,51,62)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,64)(H,68,69)/t26-,27+,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to antagonise accessory gene regulator C2 of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151877
PNG
(CHEMBL182114 | N-[9-Benzyl-6-sec-butyl-12-methyl-3...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(C)=O
Show InChI InChI=1S/C28H41N5O6S2/c1-6-16(2)23-27(38)31-20(12-13-40-5)28(39)41-15-22(30-18(4)34)26(37)29-17(3)24(35)32-21(25(36)33-23)14-19-10-8-7-9-11-19/h7-11,16-17,20-23H,6,12-15H2,1-5H3,(H,29,37)(H,30,34)(H,31,38)(H,32,35)(H,33,36)/t16-,17-,20+,21+,22-,23-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151871
PNG
(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...)
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](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O
Show InChI InChI=1S/C40H56N8O13S/c1-20(2)13-26-34(55)43-27(15-22-7-5-4-6-8-22)40(61)62-19-31(38(59)46-29(17-50)36(57)45-28(16-49)35(56)42-26)47-39(60)32(21(3)52)48-37(58)30(18-51)44-33(54)25(41)14-23-9-11-24(53)12-10-23/h4-12,20-21,25-32,49-53H,13-19,41H2,1-3H3,(H,42,56)(H,43,55)(H,44,54)(H,45,57)(H,46,59)(H,47,60)(H,48,58)/t21-,25+,26-,27+,28+,29-,30+,31-,32+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151883
PNG
(CHEMBL276191 | N-[9-Benzyl-6-sec-butyl-12-methyl-3...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](CSC(=O)[C@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CCCOc1ccc(Cc2ccccc2)cc1)[C@@H](C)O
Show InChI InChI=1S/C50H67N7O11S2/c1-6-30(2)42-48(65)53-37(23-25-69-5)50(67)70-29-40(47(64)51-31(3)44(61)54-38(45(62)56-42)27-34-16-11-8-12-17-34)55-49(66)43(32(4)59)57-46(63)39(28-58)52-41(60)18-13-24-68-36-21-19-35(20-22-36)26-33-14-9-7-10-15-33/h7-12,14-17,19-22,30-32,37-40,42-43,58-59H,6,13,18,23-29H2,1-5H3,(H,51,64)(H,52,60)(H,53,65)(H,54,61)(H,55,66)(H,56,62)(H,57,63)/t30-,31+,32+,37-,38-,39-,40+,42+,43-/m0/s1
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n/an/a 295n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151874
PNG
(CHEMBL362838 | Tyr-Ser-Thr-cyclo(Cys-Ala-Phe-Ile-M...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O
Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30+,31-,32-,33-,34-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151876
PNG
(CHEMBL182783 | GVNACSSLF)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H60N10O13S/c1-18(2)11-22(33(55)44-24(38(60)61)12-21-9-7-6-8-10-21)42-34(56)25(15-49)45-35(57)26(16-50)46-36(58)27(17-62)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/h6-10,18-20,22-27,30,49-50,62H,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)(H,60,61)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to antagonise accessory gene regulator C3 of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151874
PNG
(CHEMBL362838 | Tyr-Ser-Thr-cyclo(Cys-Ala-Phe-Ile-M...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O
Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30+,31-,32-,33-,34-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151883
PNG
(CHEMBL276191 | N-[9-Benzyl-6-sec-butyl-12-methyl-3...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](CSC(=O)[C@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CCCOc1ccc(Cc2ccccc2)cc1)[C@@H](C)O
Show InChI InChI=1S/C50H67N7O11S2/c1-6-30(2)42-48(65)53-37(23-25-69-5)50(67)70-29-40(47(64)51-31(3)44(61)54-38(45(62)56-42)27-34-16-11-8-12-17-34)55-49(66)43(32(4)59)57-46(63)39(28-58)52-41(60)18-13-24-68-36-21-19-35(20-22-36)26-33-14-9-7-10-15-33/h7-12,14-17,19-22,30-32,37-40,42-43,58-59H,6,13,18,23-29H2,1-5H3,(H,51,64)(H,52,60)(H,53,65)(H,54,61)(H,55,66)(H,56,62)(H,57,63)/t30-,31+,32+,37-,38-,39-,40+,42+,43-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151872
PNG
(2-{2-[4-(4-Benzoyl-phenoxy)-butyrylamino]-3-hydrox...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](CSC(=O)[C@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CCCOc1ccc(cc1)C(=O)c1ccccc1)[C@@H](C)O
Show InChI InChI=1S/C50H65N7O12S2/c1-6-29(2)41-48(66)53-36(23-25-70-5)50(68)71-28-39(47(65)51-30(3)44(62)54-37(45(63)56-41)26-32-14-9-7-10-15-32)55-49(67)42(31(4)59)57-46(64)38(27-58)52-40(60)18-13-24-69-35-21-19-34(20-22-35)43(61)33-16-11-8-12-17-33/h7-12,14-17,19-22,29-31,36-39,41-42,58-59H,6,13,18,23-28H2,1-5H3,(H,51,65)(H,52,60)(H,53,66)(H,54,62)(H,55,67)(H,56,63)(H,57,64)/t29-,30+,31+,36-,37-,38-,39+,41+,42-/m0/s1
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n/an/a 303n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151875
PNG
(CHEMBL369309 | N-(3-Benzyl-9,12-bis-hydroxymethyl-...)
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(C)=O
Show InChI InChI=1S/C26H37N5O8S/c1-14(2)9-17-22(35)29-18(10-16-7-5-4-6-8-16)26(39)40-13-21(27-15(3)34)25(38)31-20(12-33)24(37)30-19(11-32)23(36)28-17/h4-8,14,17-21,32-33H,9-13H2,1-3H3,(H,27,34)(H,28,36)(H,29,35)(H,30,37)(H,31,38)/t17-,18+,19+,20-,21-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50151873
PNG
(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O
Show InChI InChI=1S/C43H62N8O11S2/c1-6-23(3)34-41(60)46-30(17-18-63-5)43(62)64-22-33(40(59)45-29(7-2)37(56)47-31(38(57)50-34)20-25-11-9-8-10-12-25)49-42(61)35(24(4)53)51-39(58)32(21-52)48-36(55)28(44)19-26-13-15-27(54)16-14-26/h8-16,23-24,28-35,52-54H,6-7,17-22,44H2,1-5H3,(H,45,59)(H,46,60)(H,47,56)(H,48,55)(H,49,61)(H,50,57)(H,51,58)/t23-,24+,28-,29?,30+,31+,32-,33-,34-,35-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Concentration required to inhibit quorum sensor of Staphylococcus aureus


J Med Chem 47: 4633-41 (2004)


Article DOI: 10.1021/jm0400754
BindingDB Entry DOI: 10.7270/Q2P26XM1
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50406270
PNG
(CHEMBL4163103)
Show SMILES CCCCCCC(=O)N[C@H]1CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C10H6F3NO2/c1-5-3-2-4-6-7(5)14-9(10(11,12)13)16-8(6)15/h2-4H,1H3
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n/an/a 12n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of AIP-stimulated quorum sensing system AgrC activation in Staphylococcus aureus RN10829 harboring P3:blaZ fusion assessed as reduction in...


Eur J Med Chem 152: 370-376 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.053
BindingDB Entry DOI: 10.7270/Q2JM2D66
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50406354
PNG
(CHEMBL4169312)
Show SMILES CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C34H54N6O6/c1-7-8-9-13-16-29(41)37-28-20-35-31(43)25(17-21(2)3)38-30(42)23(6)36-32(44)26(18-22(4)5)39-33(45)27(40-34(28)46)19-24-14-11-10-12-15-24/h10-12,14-15,21-23,25-28H,7-9,13,16-20H2,1-6H3,(H,35,43)(H,36,44)(H,37,41)(H,38,42)(H,39,45)(H,40,46)/t23-,25-,26-,27-,28-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of AIP-stimulated quorum sensing system AgrC activation in Staphylococcus aureus RN10829 harboring P3:blaZ fusion assessed as reduction in...


Eur J Med Chem 152: 370-376 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.053
BindingDB Entry DOI: 10.7270/Q2JM2D66
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50406360
PNG
(CHEMBL4167382)
Show SMILES CCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C33H52N6O6/c1-7-8-10-15-28(40)36-27-19-34-30(42)24(16-20(2)3)37-29(41)22(6)35-31(43)25(17-21(4)5)38-32(44)26(39-33(27)45)18-23-13-11-9-12-14-23/h9,11-14,20-22,24-27H,7-8,10,15-19H2,1-6H3,(H,34,42)(H,35,43)(H,36,40)(H,37,41)(H,38,44)(H,39,45)/t22-,24-,25-,26-,27-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of AIP-stimulated quorum sensing system AgrC activation in Staphylococcus aureus RN10829 harboring P3:blaZ fusion assessed as reduction in...


Eur J Med Chem 152: 370-376 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.053
BindingDB Entry DOI: 10.7270/Q2JM2D66
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50406396
PNG
(CHEMBL4159129)
Show SMILES CCCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C16H20N2O/c1-18(2)9-7-12(8-10-18)16(19)14-11-17-15-6-4-3-5-13(14)15/h3-6,11-12H,7-10H2,1-2H3/p+1
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n/an/a 0.300n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of AIP-stimulated quorum sensing system AgrC activation in Staphylococcus aureus RN10829 harboring P3:blaZ fusion assessed as reduction in...


Eur J Med Chem 152: 370-376 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.053
BindingDB Entry DOI: 10.7270/Q2JM2D66
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50406397
PNG
(CHEMBL4162686)
Show SMILES CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C18H20N2O3/c1-20-10-16(21)11-6-7-17(15(20)8-11)23-18(22)13-9-19-14-5-3-2-4-12(13)14/h2-5,9,11,15,17,19H,6-8,10H2,1H3
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n/an/a 42n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of AIP-stimulated quorum sensing system AgrC activation in Staphylococcus aureus RN10829 harboring P3:blaZ fusion assessed as reduction in...


Eur J Med Chem 152: 370-376 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.053
BindingDB Entry DOI: 10.7270/Q2JM2D66
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50406399
PNG
(CHEMBL4161642)
Show SMILES CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C14H16N2O/c17-14(10-5-7-15-8-6-10)12-9-16-13-4-2-1-3-11(12)13/h1-4,9-10,15-16H,5-8H2
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n/an/a 0.5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of AIP-stimulated quorum sensing system AgrC activation in Staphylococcus aureus RN10829 harboring P3:blaZ fusion assessed as reduction in...


Eur J Med Chem 152: 370-376 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.053
BindingDB Entry DOI: 10.7270/Q2JM2D66
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50406468
PNG
(CHEMBL4169564)
Show SMILES CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C21H22N6O6/c1-27(13-8-14-17(23-9-13)25-21(22)26-19(14)31)10-11-2-4-12(5-3-11)18(30)24-15(20(32)33)6-7-16(28)29/h2-5,8-9,15H,6-7,10H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,22,23,25,26,31)
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n/an/a 0.400n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of AIP-stimulated quorum sensing system AgrC activation in Staphylococcus aureus RN10829 harboring P3:blaZ fusion assessed as reduction in...


Eur J Med Chem 152: 370-376 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.053
BindingDB Entry DOI: 10.7270/Q2JM2D66
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50406469
PNG
(CHEMBL4174843)
Show SMILES CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CCC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C21H26N6O6/c1-27(13-8-14-17(23-9-13)25-21(22)26-19(14)31)10-11-2-4-12(5-3-11)18(30)24-15(20(32)33)6-7-16(28)29/h2-5,13,15H,6-10H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,22,23,25,26,31)
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n/an/a 0.600n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of AIP-stimulated quorum sensing system AgrC activation in Staphylococcus aureus RN10829 harboring P3:blaZ fusion assessed as reduction in...


Eur J Med Chem 152: 370-376 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.053
BindingDB Entry DOI: 10.7270/Q2JM2D66
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM76798
PNG
((E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethy...)
Show SMILES CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
Show InChI InChI=1S/C25H28O5/c1-16(2)22(27)13-5-17(3)4-11-20-24(29)15-12-21(25(20)30)23(28)14-8-18-6-9-19(26)10-7-18/h4,6-10,12,14-15,22,26-27,29-30H,1,5,11,13H2,2-3H3/b14-8+,17-4+
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n/an/a 3.39E+5n/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of recombinant Staphylococcus aureus AgrC autophosphorylation expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by...


J Med Chem 61: 10473-10487 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01012
BindingDB Entry DOI: 10.7270/Q20P12PP
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50468034
PNG
(CHEMBL4286992)
Show SMILES CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)CC(O)c2ccc(O)cc2)c1O
Show InChI InChI=1S/C25H30O6/c1-15(2)21(27)12-5-16(3)4-10-19-22(28)13-11-20(25(19)31)24(30)14-23(29)17-6-8-18(26)9-7-17/h4,6-9,11,13,21,23,26-29,31H,1,5,10,12,14H2,2-3H3/b16-4+
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n/an/a 1.40E+5n/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of recombinant Staphylococcus aureus AgrC autophosphorylation expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by...


J Med Chem 61: 10473-10487 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01012
BindingDB Entry DOI: 10.7270/Q20P12PP
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50497017
PNG
(CHEMBL3235596)
Show SMILES CCCCCCCCCCC\C(O)=C1\C(=O)N[C@@H](CCO)C1=O
Show InChI InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(21)16-17(22)14(12-13-20)19-18(16)23/h14,20-21H,2-13H2,1H3,(H,19,23)/b16-15-/t14-/m0/s1
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n/an/an/a 2.30E+4n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Binding affinity to AgrC in Staphylococcus aureus assessed as disruption of membrane dipole potential by di-8-ANEPPS fluorescence assay


J Med Chem 57: 2813-9 (2014)


Article DOI: 10.1021/jm500215s
BindingDB Entry DOI: 10.7270/Q2XG9V4C
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50497018
PNG
(CHEMBL3235589)
Show SMILES CCCCCCCCCCCC(=O)C1=C(O)COC1=O
Show InChI InChI=1S/C16H26O4/c1-2-3-4-5-6-7-8-9-10-11-13(17)15-14(18)12-20-16(15)19/h18H,2-12H2,1H3
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n/an/an/a 7.20E+4n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Binding affinity to AgrC in Staphylococcus aureus assessed as disruption of membrane dipole potential by di-8-ANEPPS fluorescence assay


J Med Chem 57: 2813-9 (2014)


Article DOI: 10.1021/jm500215s
BindingDB Entry DOI: 10.7270/Q2XG9V4C
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50497019
PNG
(CHEMBL3235588)
Show SMILES CCCCCCCCCC(=O)C1=C(O)COC1=O
Show InChI InChI=1S/C14H22O4/c1-2-3-4-5-6-7-8-9-11(15)13-12(16)10-18-14(13)17/h16H,2-10H2,1H3
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n/an/an/a 2.58E+5n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Binding affinity to AgrC in Staphylococcus aureus assessed as disruption of membrane dipole potential by di-8-ANEPPS fluorescence assay


J Med Chem 57: 2813-9 (2014)


Article DOI: 10.1021/jm500215s
BindingDB Entry DOI: 10.7270/Q2XG9V4C
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50497020
PNG
(CHEMBL3235590)
Show SMILES CCCCCCCCCCCCCC(=O)C1=C(O)COC1=O
Show InChI InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(19)17-16(20)14-22-18(17)21/h20H,2-14H2,1H3
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n/an/an/a 4.00E+3n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Binding affinity to AgrC in Staphylococcus aureus assessed as disruption of membrane dipole potential by di-8-ANEPPS fluorescence assay


J Med Chem 57: 2813-9 (2014)


Article DOI: 10.1021/jm500215s
BindingDB Entry DOI: 10.7270/Q2XG9V4C
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50497021
PNG
(CHEMBL3235597)
Show SMILES CCCCCCCCCCCCC\C(O)=C1\C(=O)N[C@@H](CCO)C1=O
Show InChI InChI=1S/C20H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(23)18-19(24)16(14-15-22)21-20(18)25/h16,22-23H,2-15H2,1H3,(H,21,25)/b18-17-/t16-/m0/s1
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UniChem
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n/an/an/a 2.00E+3n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Binding affinity to AgrC in Staphylococcus aureus assessed as disruption of membrane dipole potential by di-8-ANEPPS fluorescence assay


J Med Chem 57: 2813-9 (2014)


Article DOI: 10.1021/jm500215s
BindingDB Entry DOI: 10.7270/Q2XG9V4C
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50497022
PNG
(CHEMBL1213657)
Show SMILES CCCCCCCCC\C(O)=C1\C(=O)N[C@@H](CCO)C1=O
Show InChI InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(19)14-15(20)12(10-11-18)17-16(14)21/h12,18-19H,2-11H2,1H3,(H,17,21)/b14-13-/t12-/m0/s1
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UniChem
Article
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n/an/an/a 2.22E+5n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Binding affinity to AgrC in Staphylococcus aureus assessed as disruption of membrane dipole potential by di-8-ANEPPS fluorescence assay


J Med Chem 57: 2813-9 (2014)


Article DOI: 10.1021/jm500215s
BindingDB Entry DOI: 10.7270/Q2XG9V4C
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(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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Article
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n/an/a 2.90n/an/an/an/an/an/a



Veterans Affairs Eastern Colorado Health Care System

Curated by ChEMBL


Assay Description
Inhibition of AgrC in mid-exponential phase Staphylococcus aureus RN6390B assessed as beta-lactamase activity incubated for 80 mins by spectrophotome...


J Med Chem 63: 2705-2730 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00798
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50526859
PNG
(CHEMBL4518791)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](COC(=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/C38H58N10O13/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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UniProtKB/TrEMBL

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Article
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n/an/a 7.90n/an/an/an/an/an/a



Veterans Affairs Eastern Colorado Health Care System

Curated by ChEMBL


Assay Description
Inhibition of AgrC in mid-exponential phase Staphylococcus aureus RN6390B assessed as beta-lactamase activity incubated for 80 mins by spectrophotome...


J Med Chem 63: 2705-2730 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00798
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50526860
PNG
(CHEMBL4554516)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC(=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/C38H59N11O12/c1-18(2)11-22-34(57)44-23(12-21-9-7-6-8-10-21)32(55)41-15-25(35(58)47-27(17-51)37(60)48-26(16-50)36(59)43-22)46-31(54)20(5)42-33(56)24(13-28(40)52)45-38(61)30(19(3)4)49-29(53)14-39/h6-10,18-20,22-27,30,50-51H,11-17,39H2,1-5H3,(H2,40,52)(H,41,55)(H,42,56)(H,43,59)(H,44,57)(H,45,61)(H,46,54)(H,47,58)(H,48,60)(H,49,53)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Veterans Affairs Eastern Colorado Health Care System

Curated by ChEMBL


Assay Description
Inhibition of AgrC in mid-exponential phase Staphylococcus aureus RN6390B assessed as beta-lactamase activity incubated for 80 mins by spectrophotome...


J Med Chem 63: 2705-2730 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00798
More data for this
Ligand-Target Pair
Receptor-histidine kinase AgrC


(Staphylococcus aureus)
BDBM50526861
PNG
(CHEMBL2337554)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSC(=O)[C@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O
Show InChI InChI=1S/C43H60N8O13S2/c1-5-22(2)34-41(62)45-28(15-16-65-4)43(64)66-21-32(40(61)47-30(19-33(55)56)37(58)46-29(38(59)50-34)18-24-9-7-6-8-10-24)49-42(63)35(23(3)53)51-39(60)31(20-52)48-36(57)27(44)17-25-11-13-26(54)14-12-25/h6-14,22-23,27-32,34-35,52-54H,5,15-21,44H2,1-4H3,(H,45,62)(H,46,58)(H,47,61)(H,48,57)(H,49,63)(H,50,59)(H,51,60)(H,55,56)/t22-,23+,27-,28-,29-,30-,31-,32-,34-,35-/m0/s1
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UniProtKB/TrEMBL

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UniChem
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n/an/a 3.10n/an/an/an/an/an/a



Veterans Affairs Eastern Colorado Health Care System

Curated by ChEMBL


Assay Description
Inhibition of AgrC in mid-exponential phase Staphylococcus aureus RN8463 assessed as beta-lactamase activity incubated for 80 mins by spectrophotomet...


J Med Chem 63: 2705-2730 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00798
More data for this
Ligand-Target Pair
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