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PubMed code 22007676

Compile data set for download or QSAR
Found 22 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
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358537
PNG
(CHEMBL1923536)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)OC(C)C)OC(=O)CCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C43H82N2O7S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-40(46)50-34-38(35-53-36-39(44)43(49)45-33-42(48)51-37(3)4)52-41(47)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37-39H,5-36,44H2,1-4H3,(H,45,49)/t38-,39+/m1/s1
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n/an/an/an/a 0.450n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358556
PNG
(CHEMBL1923555)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSCC[C@H](N)C(=O)N[C@@H](CO)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C42H80N2O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(46)51-34-36(35-53-32-31-37(43)41(48)44-38(33-45)42(49)50)52-40(47)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-38,45H,3-35,43H2,1-2H3,(H,44,48)(H,49,50)/t36-,37+,38+/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358544
PNG
(CHEMBL1923543)
Show SMILES CCOCCOCCOCCCNCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O)OC(=O)CNCCCOCCOCCOCC |r|
Show InChI InChI=1S/C31H60N4O14S/c1-3-42-11-13-46-17-15-44-9-5-7-33-19-28(37)48-22-25(23-50-24-26(32)30(39)35-27(21-36)31(40)41)49-29(38)20-34-8-6-10-45-16-18-47-14-12-43-4-2/h25-27,33-34,36H,3-24,32H2,1-2H3,(H,35,39)(H,40,41)/t25-,26+,27+/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358552
PNG
(CHEMBL1923551)
Show SMILES CCCCCCCCCCCCCCCCOC(=O)CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C25H48N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33-23(29)20-34-19-21(26)24(30)27-22(18-28)25(31)32-2/h21-22,28H,3-20,26H2,1-2H3,(H,27,30)/t21-,22-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358542
PNG
(CHEMBL1923541)
Show SMILES CCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O)OC(=O)CCCCCCCCCCCCC |r|
Show InChI InChI=1S/C37H70N2O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-34(41)46-28-31(29-48-30-32(38)36(43)39-33(27-40)37(44)45)47-35(42)26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,40H,3-30,38H2,1-2H3,(H,39,43)(H,44,45)/t31-,32+,33+/m1/s1
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n/an/an/an/a 0.560n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358547
PNG
(CHEMBL1923546)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CNCCCNCCCCNCCCN)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C37H74N6O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-34(45)51-31(29-52-30-32(39)36(47)43-33(27-44)37(48)49)28-50-35(46)26-42-25-18-24-41-22-16-15-21-40-23-17-20-38/h31-33,40-42,44H,2-30,38-39H2,1H3,(H,43,47)(H,48,49)/t31-,32+,33+/m1/s1
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n/an/an/an/a 3.23n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358557
PNG
(CHEMBL1923556)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSCCC(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C42H79NO8S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40(46)50-35-37(36-52-33-32-39(45)43-38(34-44)42(48)49-3)51-41(47)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37-38,44H,4-36H2,1-3H3,(H,43,45)/t37-,38+/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358539
PNG
(CHEMBL1923538)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)OC(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC |r|
Show InChI InChI=1S/C47H78N2O7S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(50)54-38-42(39-57-40-43(48)47(53)49-37-46(52)55-41(3)4)56-45(51)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7-10,13-16,19-22,41-43H,5-6,11-12,17-18,23-40,48H2,1-4H3,(H,49,53)/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20-/t42-,43+/m1/s1
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n/an/an/an/a 0.870n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358540
PNG
(CHEMBL1923539)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(=O)OC(C)C)OC(=O)CCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C48H89N3O10S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-44(53)59-36-40(61-45(54)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)37-62-38-42(47(56)50-35-46(55)60-39(3)4)51-43(52)34-33-41(49)48(57)58/h39-42H,5-38,49H2,1-4H3,(H,50,56)(H,51,52)(H,57,58)/t40-,41+,42+/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358546
PNG
(CHEMBL1923545)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CNCCCOCCOCCOCCCN)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C37H72N4O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-34(43)52-31(29-53-30-32(39)36(45)41-33(27-42)37(46)47)28-51-35(44)26-40-19-16-21-49-23-25-50-24-22-48-20-15-18-38/h31-33,40,42H,2-30,38-39H2,1H3,(H,41,45)(H,46,47)/t31-,32+,33+/m1/s1
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n/an/an/an/a 1.55n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358555
PNG
(CHEMBL1923554)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC(C)(C)[C@H](N)C(=O)N[C@@H](CO)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C43H82N2O8S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(47)52-34-36(35-54-43(3,4)40(44)41(49)45-37(33-46)42(50)51)53-39(48)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h36-37,40,46H,5-35,44H2,1-4H3,(H,45,49)(H,50,51)/t36-,37+,40-/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358543
PNG
(CHEMBL1923542)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C45H86N2O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(49)54-36-39(37-56-38-40(46)44(51)47-41(35-48)45(52)53)55-43(50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-41,48H,3-38,46H2,1-2H3,(H,47,51)(H,52,53)/t39-,40+,41+/m1/s1
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n/an/an/an/a 1.47n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358558
PNG
(CHEMBL1923557)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](C[Se]C[C@H](N)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C42H80N2O8Se/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(46)51-33-36(34-53-35-37(43)41(48)44-38(32-45)42(49)50-3)52-40(47)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-38,45H,4-35,43H2,1-3H3,(H,44,48)/t36-,37+,38+/m1/s1
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n/an/an/an/a 0.260n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358541
PNG
(CHEMBL1923540)
Show SMILES CCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O)OC(=O)CCCCCCCCCCC |r|
Show InChI InChI=1S/C33H62N2O8S/c1-3-5-7-9-11-13-15-17-19-21-30(37)42-24-27(25-44-26-28(34)32(39)35-29(23-36)33(40)41)43-31(38)22-20-18-16-14-12-10-8-6-4-2/h27-29,36H,3-26,34H2,1-2H3,(H,35,39)(H,40,41)/t27-,28+,29+/m1/s1
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n/an/an/an/a 6.48n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358548
PNG
(CHEMBL1923547)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C25H48N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(30)34-17-20(29)18-35-19-21(26)24(31)27-22(16-28)25(32)33/h20-22,28-29H,2-19,26H2,1H3,(H,27,31)(H,32,33)/t20-,21+,22+/m1/s1
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n/an/an/an/a 1.95n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358551
PNG
(CHEMBL1923550)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCCSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C26H50N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24(30)34-18-16-19-35-21-22(27)25(31)28-23(20-29)26(32)33-2/h22-23,29H,3-21,27H2,1-2H3,(H,28,31)/t22-,23-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358553
PNG
(CHEMBL1923552)
Show SMILES CCCCCCCCCCCCCCCCOC(=O)CCSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C26H50N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-34-24(30)17-19-35-21-22(27)25(31)28-23(20-29)26(32)33-2/h22-23,29H,3-21,27H2,1-2H3,(H,28,31)/t22-,23-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358545
PNG
(CHEMBL1923544)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CNCCCOCCOCCOCC)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C36H69N3O11S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-33(41)50-30(28-51-29-31(37)35(43)39-32(26-40)36(44)45)27-49-34(42)25-38-19-17-20-47-23-24-48-22-21-46-4-2/h30-32,38,40H,3-29,37H2,1-2H3,(H,39,43)(H,44,45)/t30-,31+,32+/m1/s1
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n/an/an/an/a 2.11n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358549
PNG
(CHEMBL1923548)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](CO)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C25H48N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(30)34-20(16-28)18-35-19-21(26)24(31)27-22(17-29)25(32)33/h20-22,28-29H,2-19,26H2,1H3,(H,27,31)(H,32,33)/t20-,21+,22+/m1/s1
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n/an/an/an/a 1.86n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358550
PNG
(CHEMBL1923549 | US9676818, 6d)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C25H48N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(29)33-17-18-34-20-21(26)24(30)27-22(19-28)25(31)32-2/h21-22,28H,3-20,26H2,1-2H3,(H,27,30)/t21-,22-/m0/s1
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n/an/an/an/a 4.44n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358554
PNG
(CHEMBL1923553)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC(C)(C)[C@@H](N)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C44H84N2O8S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(48)53-35-37(36-55-44(3,4)41(45)42(50)46-38(34-47)43(51)52-5)54-40(49)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h37-38,41,47H,6-36,45H2,1-5H3,(H,46,50)/t37-,38+,41+/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50358538
PNG
(CHEMBL1923537)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)OC(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC |r|
Show InChI InChI=1S/C47H82N2O7S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(50)54-38-42(39-57-40-43(48)47(53)49-37-46(52)55-41(3)4)56-45(51)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,41-43H,5-12,17-18,23-40,48H2,1-4H3,(H,49,53)/b15-13-,16-14-,21-19-,22-20-/t42-,43+/m1/s1
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n/an/an/an/a 1n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%