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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
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