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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 2' AND taxid = 9606   
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
Toll-like receptor 2


(Homo sapiens)
BDBM50399454
PNG
(CHEMBL2179401)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(CSCC(NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCSC1CC(=O)N(CCNC(=O)CCCCC[N+]2=C(Cc3cc(ccc23)S([O-])(=O)=O)\C=C\C=C\C=C2\Cc3cc(ccc3N2CC)S([O-])(=O)=O)C1=O)C(=O)NCC(=O)NC(CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C109H176N12O30S4/c1-4-7-9-11-13-15-17-19-21-23-25-27-34-44-105(131)150-78-89(151-106(132)45-35-28-26-24-22-20-18-16-14-12-10-8-5-2)83-152-84-93(108(134)116-76-100(126)117-92(77-122)107(133)115-54-40-61-145-65-69-147-68-64-143-59-38-52-112-101(127)80-148-79-97(110)123)118-103(129)82-149-81-102(128)113-53-39-60-144-63-67-146-66-62-142-58-37-51-111-99(125)50-70-153-96-75-104(130)121(109(96)135)57-55-114-98(124)43-33-30-36-56-120-88(72-86-74-91(155(139,140)141)47-49-95(86)120)42-32-29-31-41-87-71-85-73-90(154(136,137)138)46-48-94(85)119(87)6-3/h29,31-32,41-42,46-49,73-74,89,92-93,96,122H,4-28,30,33-40,43-45,50-72,75-84H2,1-3H3,(H11-,110,111,112,113,114,115,116,117,118,123,124,125,126,127,128,129,133,134,136,137,138,139,140,141)/p-1
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11n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-DTPA from human TLR2 expressed in HEK293 cells after 1 hr


J Med Chem 55: 9751-62 (2012)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50399450
PNG
(CHEMBL2179403)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)NCC(=O)N[C@H](CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C73H136N8O21S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-34-70(89)101-54-62(102-71(90)35-29-27-25-23-21-19-17-15-13-11-9-7-5-2)59-103-60-64(81-69(88)58-100-57-68(87)77-38-32-42-95-45-49-97-48-44-93-40-30-36-75-61(3)83)73(92)79-52-66(85)80-63(53-82)72(91)78-39-33-43-96-47-51-98-50-46-94-41-31-37-76-67(86)56-99-55-65(74)84/h62-64,82H,4-60H2,1-3H3,(H2,74,84)(H,75,83)(H,76,86)(H,77,87)(H,78,91)(H,79,92)(H,80,85)(H,81,88)/t62-,63-,64+/m1/s1
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25n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-DTPA from human TLR2 expressed in HEK293 cells after 1 hr


J Med Chem 55: 9751-62 (2012)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50399455
PNG
(CHEMBL2179402)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCS)C(=O)NCC(=O)N[C@H](CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C74H138N8O21S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-71(90)102-55-62(103-72(91)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2)60-105-61-64(82-70(89)59-101-58-69(88)78-38-31-42-96-45-49-98-48-44-94-40-29-36-76-66(85)35-52-104)74(93)80-53-67(86)81-63(54-83)73(92)79-39-32-43-97-47-51-99-50-46-95-41-30-37-77-68(87)57-100-56-65(75)84/h62-64,83,104H,3-61H2,1-2H3,(H2,75,84)(H,76,85)(H,77,87)(H,78,88)(H,79,92)(H,80,93)(H,81,86)(H,82,89)/t62-,63-,64+/m1/s1
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25n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-DTPA from human TLR2 expressed in SU.86.86 cells after 1 hr


J Med Chem 55: 9751-62 (2012)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50399454
PNG
(CHEMBL2179401)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(CSCC(NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCSC1CC(=O)N(CCNC(=O)CCCCC[N+]2=C(Cc3cc(ccc23)S([O-])(=O)=O)\C=C\C=C\C=C2\Cc3cc(ccc3N2CC)S([O-])(=O)=O)C1=O)C(=O)NCC(=O)NC(CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C109H176N12O30S4/c1-4-7-9-11-13-15-17-19-21-23-25-27-34-44-105(131)150-78-89(151-106(132)45-35-28-26-24-22-20-18-16-14-12-10-8-5-2)83-152-84-93(108(134)116-76-100(126)117-92(77-122)107(133)115-54-40-61-145-65-69-147-68-64-143-59-38-52-112-101(127)80-148-79-97(110)123)118-103(129)82-149-81-102(128)113-53-39-60-144-63-67-146-66-62-142-58-37-51-111-99(125)50-70-153-96-75-104(130)121(109(96)135)57-55-114-98(124)43-33-30-36-56-120-88(72-86-74-91(155(139,140)141)47-49-95(86)120)42-32-29-31-41-87-71-85-73-90(154(136,137)138)46-48-94(85)119(87)6-3/h29,31-32,41-42,46-49,73-74,89,92-93,96,122H,4-28,30,33-40,43-45,50-72,75-84H2,1-3H3,(H11-,110,111,112,113,114,115,116,117,118,123,124,125,126,127,128,129,133,134,136,137,138,139,140,141)/p-1
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67n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-DTPA from human TLR2 expressed in SU.86.86 cells after 1 hr


J Med Chem 55: 9751-62 (2012)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50399450
PNG
(CHEMBL2179403)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)NCC(=O)N[C@H](CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C73H136N8O21S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-34-70(89)101-54-62(102-71(90)35-29-27-25-23-21-19-17-15-13-11-9-7-5-2)59-103-60-64(81-69(88)58-100-57-68(87)77-38-32-42-95-45-49-97-48-44-93-40-30-36-75-61(3)83)73(92)79-52-66(85)80-63(53-82)72(91)78-39-33-43-96-47-51-98-50-46-94-41-31-37-76-67(86)56-99-55-65(74)84/h62-64,82H,4-60H2,1-3H3,(H2,74,84)(H,75,83)(H,76,86)(H,77,87)(H,78,91)(H,79,92)(H,80,85)(H,81,88)/t62-,63-,64+/m1/s1
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91n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-DTPA from human TLR2 expressed in SU.86.86 cells after 1 hr


J Med Chem 55: 9751-62 (2012)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50315416
PNG
((R)-3-((R)-2-Amino-3-((S)-3-hydroxy-1-methoxy-1-ox...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](COC(=O)CCCCCCCCCCCCCCC)CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C42H81N3O7S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(47)44-36(34-53-35-37(43)41(49)45-38(32-46)42(50)51-3)33-52-40(48)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-38,46H,4-35,43H2,1-3H3,(H,44,47)(H,45,49)/t36-,37+,38+/m1/s1
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n/an/a 48n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human TLR2 expressed in HEK-Blue-4 cells assessed as induction of NFkappaB by SEAP assay


J Med Chem 53: 3198-213 (2010)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50274716
PNG
(CHEMBL490908 | Dodecanoic acid 3-{(S)-2-hexadecano...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCNC(=O)[C@@H](NC(=O)Cc1c[nH]c2ccc(cc12)-c1ccccc1)[C@@H](C)CC)C(=O)NCCCOC(=O)CCCCCCCCCCC
Show InChI InChI=1S/C58H94N5O10P/c1-5-8-10-12-14-16-17-18-19-21-22-24-29-34-53(64)62-52(57(67)59-38-31-40-71-55(66)35-30-25-23-20-15-13-11-9-6-2)45-73-74(69,70)72-41-39-60-58(68)56(46(4)7-3)63-54(65)43-49-44-61-51-37-36-48(42-50(49)51)47-32-27-26-28-33-47/h26-28,32-33,36-37,42,44,46,52,56,61H,5-25,29-31,34-35,38-41,43,45H2,1-4H3,(H,59,67)(H,60,68)(H,62,64)(H,63,65)(H,69,70)/t46-,52-,56-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR2 expressed in HE293 cells cotransfected with pELAM by luciferase reporter gene assay


J Med Chem 51: 6621-6 (2008)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50274718
PNG
(CHEMBL448621 | Phosphoric acid 2-{(2S,3S)-2-[2-(5-...)
Show SMILES CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCNC(=O)[C@@H](NC(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12)[C@@H](C)CC)C(=O)NCCC(O)CCCCCCCCCCCCC
Show InChI InChI=1S/C64H108N5O10P/c1-5-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-36-40-60(71)68-59(63(73)65-44-43-55(70)39-35-30-28-26-24-17-15-13-11-9-6-2)51-79-80(75,76)78-46-45-66-64(74)62(52(4)7-3)69-61(72)47-54-49-67-58-42-41-56(48-57(54)58)77-50-53-37-33-32-34-38-53/h32-34,37-38,41-42,48-49,52,55,59,62,67,70H,5-31,35-36,39-40,43-47,50-51H2,1-4H3,(H,65,73)(H,66,74)(H,68,71)(H,69,72)(H,75,76)/t52-,55?,59-,62-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR2 expressed in HE293 cells cotransfected with pELAM by luciferase reporter gene assay


J Med Chem 51: 6621-6 (2008)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50274717
PNG
(CHEMBL473383 | Phosphoric acid (S)-2-(3-hydroxy-he...)
Show SMILES CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCNC(=O)[C@@H](NC(=O)Cc1c[nH]c2ccccc12)[C@@H](C)CC)C(=O)NCCC(O)CCCCCCCCCCCCC
Show InChI InChI=1S/C57H102N5O9P/c1-5-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-39-53(64)61-52(56(66)58-41-40-49(63)36-32-30-28-26-24-17-15-13-11-9-6-2)46-71-72(68,69)70-43-42-59-57(67)55(47(4)7-3)62-54(65)44-48-45-60-51-38-35-34-37-50(48)51/h34-35,37-38,45,47,49,52,55,60,63H,5-33,36,39-44,46H2,1-4H3,(H,58,66)(H,59,67)(H,61,64)(H,62,65)(H,68,69)/t47-,49?,52-,55-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR2 expressed in HE293 cells cotransfected with pELAM by luciferase reporter gene assay


J Med Chem 51: 6621-6 (2008)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50175650
PNG
(CHEMBL383597 | Dodecanoic acid (R)-1-{2-[(S)-3-({2...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O)C(=O)NCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC
Show InChI InChI=1S/C51H90N3O12P/c1-4-7-10-13-15-17-18-20-21-24-27-30-47(56)54-46(41-65-67(62,63)64-39-38-53-49(58)45(51(60)61)40-42-32-34-43(55)35-33-42)50(59)52-37-36-44(29-26-23-12-9-6-3)66-48(57)31-28-25-22-19-16-14-11-8-5-2/h32-35,44-46,55H,4-31,36-41H2,1-3H3,(H,52,59)(H,53,58)(H,54,56)(H,60,61)(H,62,63)/t44-,45?,46+/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at TLR2 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50274719
PNG
(CHEMBL446794 | Dodecanoic acid 1-(2-{(S)-3-[(2-{(2...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1)[C@@H](C)C(O)=O)C(=O)NCCC(CCCCCCC)OC(=O)CCCCCCCCCCC
Show InChI InChI=1S/C54H95N4O13P/c1-5-8-11-14-16-18-19-21-22-25-28-31-48(60)57-47(52(63)55-38-37-46(30-27-24-13-10-7-3)71-50(62)32-29-26-23-20-17-15-12-9-6-2)42-70-72(67,68)69-40-39-56-53(64)51(43(4)54(65)66)58-49(61)41-44-33-35-45(59)36-34-44/h33-36,43,46-47,51,59H,5-32,37-42H2,1-4H3,(H,55,63)(H,56,64)(H,57,60)(H,58,61)(H,65,66)(H,67,68)/t43-,46?,47+,51+/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR2 expressed in HE293 cells cotransfected with pELAM by luciferase reporter gene assay


J Med Chem 51: 6621-6 (2008)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50175655
PNG
(CHEMBL372577 | Dodecanoic acid (R)-1-{2-[(S)-3-({2...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O)C(=O)OCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC
Show InChI InChI=1S/C51H89N2O13P/c1-4-7-10-13-15-17-18-20-21-24-27-30-47(55)53-46(41-65-67(61,62)64-39-37-52-49(57)45(50(58)59)40-42-32-34-43(54)35-33-42)51(60)63-38-36-44(29-26-23-12-9-6-3)66-48(56)31-28-25-22-19-16-14-11-8-5-2/h32-35,44-46,54H,4-31,36-41H2,1-3H3,(H,52,57)(H,53,55)(H,58,59)(H,61,62)/t44-,45?,46+/m1/s1
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n/an/a 950n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at TLR2 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50315417
PNG
(((R)-3-(2-((R)-2-Amino-3-hydroxypropanamido)ethylt...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSCCNC(=O)[C@H](N)CO)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C40H78N2O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(44)47-34-36(35-49-32-31-42-40(46)37(41)33-43)48-39(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-37,43H,3-35,41H2,1-2H3,(H,42,46)/t36-,37-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human TLR2 expressed in HEK-Blue-4 cells assessed as induction of NFkappaB by SEAP assay


J Med Chem 53: 3198-213 (2010)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50175654
PNG
(CHEMBL190383 | Tetradecanoic acid (R)-2-({2-[2-car...)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C51H90NO13P/c1-4-7-10-13-15-17-18-20-22-25-28-31-49(55)65-46(42-63-66(59,60)62-39-37-52-50(56)47(51(57)58)40-43-32-34-44(53)35-33-43)41-61-38-36-45(29-26-23-12-9-6-3)64-48(54)30-27-24-21-19-16-14-11-8-5-2/h32-35,45-47,53H,4-31,36-42H2,1-3H3,(H,52,56)(H,57,58)(H,59,60)/t45-,46-,47?/m1/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at TLR2 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50175651
PNG
(CHEMBL382272 | Dodecanoic acid (R)-1-{2-[(R)-3-({2...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C51H91N2O12P/c1-4-7-10-13-15-17-18-20-21-24-27-30-48(55)53-44(42-64-66(60,61)63-39-37-52-50(57)47(51(58)59)40-43-32-34-45(54)35-33-43)41-62-38-36-46(29-26-23-12-9-6-3)65-49(56)31-28-25-22-19-16-14-11-8-5-2/h32-35,44,46-47,54H,4-31,36-42H2,1-3H3,(H,52,57)(H,53,55)(H,58,59)(H,60,61)/t44-,46-,47?/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity at TLR in human PBMC


Bioorg Med Chem Lett 15: 5494-8 (2005)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50175658
PNG
(CHEMBL200206 | Dodecanoic acid (R)-1-{2-[(R)-3-(hy...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C50H91N2O10P/c1-4-7-10-13-15-17-18-20-21-24-27-30-49(55)52-45(43-61-63(57,58)60-41-39-51-48(54)37-34-44-32-35-46(53)36-33-44)42-59-40-38-47(29-26-23-12-9-6-3)62-50(56)31-28-25-22-19-16-14-11-8-5-2/h32-33,35-36,45,47,53H,4-31,34,37-43H2,1-3H3,(H,51,54)(H,52,55)(H,57,58)/t45-,47-/m1/s1
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n/an/a 2.15E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at TLR2 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50175651
PNG
(CHEMBL382272 | Dodecanoic acid (R)-1-{2-[(R)-3-({2...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C51H91N2O12P/c1-4-7-10-13-15-17-18-20-21-24-27-30-48(55)53-44(42-64-66(60,61)63-39-37-52-50(57)47(51(58)59)40-43-32-34-45(54)35-33-43)41-62-38-36-46(29-26-23-12-9-6-3)65-49(56)31-28-25-22-19-16-14-11-8-5-2/h32-35,44,46-47,54H,4-31,36-42H2,1-3H3,(H,52,57)(H,53,55)(H,58,59)(H,60,61)/t44-,46-,47?/m1/s1
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n/an/a 3.07E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at TLR2 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50241033
PNG
(CHEMBL414311 | N-[(1R)-2-{[(2R)-2-{[(1S)-1-{[(1S)-...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(=O)NCCCCCCCC
Show InChI InChI=1S/C69H135N13O10S/c1-4-7-10-13-16-18-20-22-24-26-29-44-61(84)76-59(64(87)75-50-39-28-15-12-9-6-3)52-93-53-60(77-62(85)45-30-27-25-23-21-19-17-14-11-8-5-2)69(92)82-58(51-83)68(91)81-57(43-34-38-49-73)67(90)80-56(42-33-37-48-72)66(89)79-55(41-32-36-47-71)65(88)78-54(63(74)86)40-31-35-46-70/h54-60,83H,4-53,70-73H2,1-3H3,(H2,74,86)(H,75,87)(H,76,84)(H,77,85)(H,78,88)(H,79,89)(H,80,90)(H,81,91)(H,82,92)/t54-,55-,56-,57-,58-,59-,60-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TLR2-mediated IL8 secretion in human THP1 cells


J Med Chem 51: 6621-6 (2008)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50147581
PNG
(1-tridecanecarboxylic acid | 14:0 | CH3-[CH2]12-CO...)
Show SMILES CCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of TLR2 agonist Pam3Cys-Ser-(Lys)4-OH-mediated IL8 secretion in THP1 cells


J Med Chem 49: 1754-65 (2006)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of TLR2 agonist Pam3Cys-Ser-(Lys)4-OH-mediated IL8 secretion in THP1 cells


J Med Chem 49: 1754-65 (2006)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50175657
PNG
(CHEMBL380585 | N-(2-{[(R)-3-((R)-3-Dodecanoylamino...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](COCC[C@@H](CCCCCCC)NC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C51H92N3O11P/c1-4-7-10-13-15-17-18-20-22-25-28-31-49(57)54-45(42-65-66(61,62)64-39-37-52-50(58)47(51(59)60)40-43-32-34-46(55)35-33-43)41-63-38-36-44(29-26-23-12-9-6-3)53-48(56)30-27-24-21-19-16-14-11-8-5-2/h32-35,44-45,47,55H,4-31,36-42H2,1-3H3,(H,52,58)(H,53,56)(H,54,57)(H,59,60)(H,61,62)/t44-,45-,47?/m1/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at TLR2 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50175656
PNG
(CHEMBL200398 | Dodecanoic acid (S)-1-{2-[(R)-3-({2...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](COCC[C@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C51H91N2O12P/c1-4-7-10-13-15-17-18-20-21-24-27-30-48(55)53-44(42-64-66(60,61)63-39-37-52-50(57)47(51(58)59)40-43-32-34-45(54)35-33-43)41-62-38-36-46(29-26-23-12-9-6-3)65-49(56)31-28-25-22-19-16-14-11-8-5-2/h32-35,44,46-47,54H,4-31,36-42H2,1-3H3,(H,52,57)(H,53,55)(H,58,59)(H,60,61)/t44-,46+,47?/m1/s1
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n/an/a 6.46E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at TLR2 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50175652
PNG
(CHEMBL200667 | Dodecanoic acid (S)-1-{2-[(S)-3-({2...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@@H](COCC[C@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C51H91N2O12P/c1-4-7-10-13-15-17-18-20-21-24-27-30-48(55)53-44(42-64-66(60,61)63-39-37-52-50(57)47(51(58)59)40-43-32-34-45(54)35-33-43)41-62-38-36-46(29-26-23-12-9-6-3)65-49(56)31-28-25-22-19-16-14-11-8-5-2/h32-35,44,46-47,54H,4-31,36-42H2,1-3H3,(H,52,57)(H,53,55)(H,58,59)(H,60,61)/t44-,46-,47?/m0/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at TLR2 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50175653
PNG
(CHEMBL200140 | Dodecanoic acid (R)-1-{2-[(S)-3-({2...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C51H91N2O12P/c1-4-7-10-13-15-17-18-20-21-24-27-30-48(55)53-44(42-64-66(60,61)63-39-37-52-50(57)47(51(58)59)40-43-32-34-45(54)35-33-43)41-62-38-36-46(29-26-23-12-9-6-3)65-49(56)31-28-25-22-19-16-14-11-8-5-2/h32-35,44,46-47,54H,4-31,36-42H2,1-3H3,(H,52,57)(H,53,55)(H,58,59)(H,60,61)/t44-,46+,47?/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Antagonistic potency at TLR2 expressed in HEK293 cells


Bioorg Med Chem Lett 15: 5494-8 (2005)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
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
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
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
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
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
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
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
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50358548
PNG
(CHEMBL1923547)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50358549
PNG
(CHEMBL1923548)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](CO)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50358550
PNG
(CHEMBL1923549)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50358551
PNG
(CHEMBL1923550)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCCSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50358552
PNG
(CHEMBL1923551)
Show SMILES CCCCCCCCCCCCCCCCOC(=O)CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50358553
PNG
(CHEMBL1923552)
Show SMILES CCCCCCCCCCCCCCCCOC(=O)CCSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
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
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
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
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
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
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50358557
PNG
(CHEMBL1923556)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSCCC(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCCCCCCCC
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
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
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50399450
PNG
(CHEMBL2179403)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)NCC(=O)N[C@H](CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C73H136N8O21S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-34-70(89)101-54-62(102-71(90)35-29-27-25-23-21-19-17-15-13-11-9-7-5-2)59-103-60-64(81-69(88)58-100-57-68(87)77-38-32-42-95-45-49-97-48-44-93-40-30-36-75-61(3)83)73(92)79-52-66(85)80-63(53-82)72(91)78-39-33-43-96-47-51-98-50-46-94-41-31-37-76-67(86)56-99-55-65(74)84/h62-64,82H,4-60H2,1-3H3,(H2,74,84)(H,75,83)(H,76,86)(H,77,87)(H,78,91)(H,79,92)(H,80,85)(H,81,88)/t62-,63-,64+/m1/s1
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n/an/an/an/a 20n/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as induction of NF-kappaB signaling after 24 hrs by luminescence based luciferase r...


J Med Chem 55: 9751-62 (2012)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50399451
PNG
(CHEMBL2179404)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C96H170N16O30S/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-37-85(125)141-59-68(142-86(126)38-34-32-30-28-26-24-22-20-18-16-14-12-10-2)62-143-63-77(105-82(120)61-140-60-81(119)101-46-36-48-138-50-52-139-51-49-137-47-35-45-100-67(8)115)89(129)102-56-80(118)104-75(57-113)95(135)108-70(39-42-78(97)116)91(131)111-74(55-79(98)117)94(134)109-72(53-64(3)4)92(132)103-66(7)88(128)112-76(58-114)96(136)110-73(54-65(5)6)93(133)107-71(41-44-84(123)124)90(130)106-69(87(99)127)40-43-83(121)122/h64-66,68-77,113-114H,9-63H2,1-8H3,(H2,97,116)(H2,98,117)(H2,99,127)(H,100,115)(H,101,119)(H,102,129)(H,103,132)(H,104,118)(H,105,120)(H,106,130)(H,107,133)(H,108,135)(H,109,134)(H,110,136)(H,111,131)(H,112,128)(H,121,122)(H,123,124)/t66-,68+,69-,70-,71-,72-,73-,74-,75-,76-,77-/m0/s1
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n/an/an/an/a 78n/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as induction of NF-kappaB signaling after 24 hrs by luminescence based luciferase r...


J Med Chem 55: 9751-62 (2012)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50399452
PNG
(CHEMBL2179778)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)N[C@H](CO)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C100H168N16O32S/c1-6-8-10-12-14-16-18-20-22-24-26-28-33-41-88(131)147-62-70(148-89(132)42-34-29-27-25-23-21-19-17-15-13-11-9-7-2)65-149-66-80(107-82(120)64-146-63-81(119)105-49-37-51-144-53-55-145-54-52-143-50-36-48-104-68(5)118)99(142)116-79(61-117)98(141)109-72(40-35-47-106-100(102)103)91(134)112-75(57-69-38-31-30-32-39-69)94(137)114-76(58-85(125)126)95(138)110-73(44-46-84(123)124)92(135)113-77(59-86(127)128)97(140)115-78(60-87(129)130)96(139)111-74(56-67(3)4)93(136)108-71(90(101)133)43-45-83(121)122/h30-32,38-39,67,70-80,117H,6-29,33-37,40-66H2,1-5H3,(H2,101,133)(H,104,118)(H,105,119)(H,107,120)(H,108,136)(H,109,141)(H,110,138)(H,111,139)(H,112,134)(H,113,135)(H,114,137)(H,115,140)(H,116,142)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H4,102,103,106)/t70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80+/m1/s1
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n/an/an/an/a 25n/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as induction of NF-kappaB signaling after 24 hrs by luminescence based luciferase r...


J Med Chem 55: 9751-62 (2012)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50399453
PNG
(CHEMBL2179779)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(N)=O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C115H196N22O36S/c1-6-9-11-13-15-17-19-21-23-25-27-29-34-46-100(153)172-70-78(173-101(154)47-35-30-28-26-24-22-20-18-16-14-12-10-7-2)73-174-74-90(126-96(146)72-171-71-95(145)123-55-41-57-169-59-61-170-60-58-168-56-40-54-122-76(5)140)104(156)124-67-94(144)125-84(63-91(118)141)109(161)132-85(64-92(119)142)110(162)134-87(66-99(151)152)111(163)130-82(49-51-98(149)150)107(159)135-88(68-138)113(165)133-86(65-93(120)143)112(164)137-102(75(4)8-3)115(167)136-89(69-139)114(166)131-83(62-77-42-32-31-33-43-77)108(160)128-80(45-37-39-53-117)105(157)129-81(48-50-97(147)148)106(158)127-79(103(121)155)44-36-38-52-116/h31-33,42-43,75,78-90,102,138-139H,6-30,34-41,44-74,116-117H2,1-5H3,(H2,118,141)(H2,119,142)(H2,120,143)(H2,121,155)(H,122,140)(H,123,145)(H,124,156)(H,125,144)(H,126,146)(H,127,158)(H,128,160)(H,129,157)(H,130,163)(H,131,166)(H,132,161)(H,133,165)(H,134,162)(H,135,159)(H,136,167)(H,137,164)(H,147,148)(H,149,150)(H,151,152)/t75-,78+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,102-/m0/s1
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n/an/an/an/a 56n/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as induction of NF-kappaB signaling after 24 hrs by luminescence based luciferase r...


J Med Chem 55: 9751-62 (2012)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50358537
PNG
(CHEMBL1923536)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)OC(C)C)OC(=O)CCCCCCCCCCCCCCC
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)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50399456
PNG
(CHEMBL2179399)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H156N10O13S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-55-73(93)86-72(65-105-64-66(104-75(95)57-42-39-36-33-30-27-24-21-18-15-12-9-6-3)63-103-74(94)56-41-38-35-32-29-26-23-20-17-14-11-8-5-2)80(100)91-71(62-92)79(99)89-68(52-44-48-59-83)77(97)87-67(51-43-47-58-82)76(96)88-69(53-45-49-60-84)78(98)90-70(81(101)102)54-46-50-61-85/h66-72,92H,4-65,82-85H2,1-3H3,(H,86,93)(H,87,97)(H,88,96)(H,89,99)(H,90,98)(H,91,100)(H,101,102)/t66-,67+,68+,69+,70+,71+,72+/m1/s1
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n/an/an/an/a 23n/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as induction of NF-kappaB signaling after 24 hrs by luminescence based luciferase r...


J Med Chem 55: 9751-62 (2012)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50399457
PNG
(CHEMBL2179400)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C65H126N10O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-58(77)86-48-51(87-59(78)42-28-26-24-22-20-18-16-14-12-10-8-6-4-2)49-88-50-52(70)60(79)75-57(47-76)64(83)73-54(38-30-34-44-67)62(81)71-53(37-29-33-43-66)61(80)72-55(39-31-35-45-68)63(82)74-56(65(84)85)40-32-36-46-69/h51-57,76H,3-50,66-70H2,1-2H3,(H,71,81)(H,72,80)(H,73,83)(H,74,82)(H,75,79)(H,84,85)/t51-,52+,53+,54+,55+,56+,57+/m1/s1
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n/an/an/an/a 3.70n/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as induction of NF-kappaB signaling after 24 hrs by luminescence based luciferase r...


J Med Chem 55: 9751-62 (2012)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50399454
PNG
(CHEMBL2179401)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(CSCC(NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCSC1CC(=O)N(CCNC(=O)CCCCC[N+]2=C(Cc3cc(ccc23)S([O-])(=O)=O)\C=C\C=C\C=C2\Cc3cc(ccc3N2CC)S([O-])(=O)=O)C1=O)C(=O)NCC(=O)NC(CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C109H176N12O30S4/c1-4-7-9-11-13-15-17-19-21-23-25-27-34-44-105(131)150-78-89(151-106(132)45-35-28-26-24-22-20-18-16-14-12-10-8-5-2)83-152-84-93(108(134)116-76-100(126)117-92(77-122)107(133)115-54-40-61-145-65-69-147-68-64-143-59-38-52-112-101(127)80-148-79-97(110)123)118-103(129)82-149-81-102(128)113-53-39-60-144-63-67-146-66-62-142-58-37-51-111-99(125)50-70-153-96-75-104(130)121(109(96)135)57-55-114-98(124)43-33-30-36-56-120-88(72-86-74-91(155(139,140)141)47-49-95(86)120)42-32-29-31-41-87-71-85-73-90(154(136,137)138)46-48-94(85)119(87)6-3/h29,31-32,41-42,46-49,73-74,89,92-93,96,122H,4-28,30,33-40,43-45,50-72,75-84H2,1-3H3,(H11-,110,111,112,113,114,115,116,117,118,123,124,125,126,127,128,129,133,134,136,137,138,139,140,141)/p-1
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n/an/an/an/a 34n/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as induction of NF-kappaB signaling after 24 hrs by luminescence based luciferase r...


J Med Chem 55: 9751-62 (2012)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50399455
PNG
(CHEMBL2179402)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCS)C(=O)NCC(=O)N[C@H](CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C74H138N8O21S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-71(90)102-55-62(103-72(91)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2)60-105-61-64(82-70(89)59-101-58-69(88)78-38-31-42-96-45-49-98-48-44-94-40-29-36-76-66(85)35-52-104)74(93)80-53-67(86)81-63(54-83)73(92)79-39-32-43-97-47-51-99-50-46-95-41-30-37-77-68(87)57-100-56-65(75)84/h62-64,83,104H,3-61H2,1-2H3,(H2,75,84)(H,76,85)(H,77,87)(H,78,88)(H,79,92)(H,80,93)(H,81,86)(H,82,89)/t62-,63-,64+/m1/s1
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n/an/an/an/a 39n/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as induction of NF-kappaB signaling after 24 hrs by luminescence based luciferase r...


J Med Chem 55: 9751-62 (2012)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50386534
PNG
(CHEMBL2048075)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C27H50N2O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(32)36-18-19-37-21-24(28-22(2)31)26(33)29-23(20-30)27(34)35-3/h23-24,30H,4-21H2,1-3H3,(H,28,31)(H,29,33)/t23-,24-/m0/s1
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n/an/an/an/a 1.01n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NFkappaB translocation after 12 hrs by secretory alkaline phosphatase reporter g...


J Med Chem 55: 3353-63 (2012)

More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens)
BDBM50386535
PNG
(CHEMBL2048219)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C27H47F3N2O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(34)39-17-18-40-20-22(32-26(37)27(28,29)30)24(35)31-21(19-33)25(36)38-2/h21-22,33H,3-20H2,1-2H3,(H,31,35)(H,32,37)/t21-,22-/m0/s1
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n/an/an/an/a 4.5n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NFkappaB translocation after 12 hrs by secretory alkaline phosphatase reporter g...


J Med Chem 55: 3353-63 (2012)

More data for this
Ligand-Target Pair
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