Found 469 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 2' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50511993
(CHEMBL4472879)Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C56H56N6O6/c63-51(57-47-25-39(47)33-13-5-1-6-14-33)43-29-61(30-44(43)52(64)58-48-26-40(48)34-15-7-2-8-16-34)55(67)37-21-23-38(24-22-37)56(68)62-31-45(53(65)59-49-27-41(49)35-17-9-3-10-18-35)46(32-62)54(66)60-50-28-42(50)36-19-11-4-12-20-36/h1-24,39-50H,25-32H2,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.110 | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description
Agonist activity at TLR2 in human cells by cell based assay |
J Med Chem 62: 2938-2949 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01583
BindingDB Entry DOI: 10.7270/Q2SQ93TD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50358558
(CHEMBL1923557)Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](C[Se]C[C@H](N)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C42H80N2O8Se/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(46)51-33-36(34-53-35-37(43)41(48)44-38(32-45)42(49)50-3)52-40(47)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-38,45H,4-35,43H2,1-3H3,(H,44,48)/t36-,37+,38+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.260 | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr... |
J Med Chem 54: 8148-60 (2011)
Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50552141
(CHEMBL4756806)Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(C)=O)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)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)CC(C)C)OC(=O)CCCCCCCCCCCCCCC |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.280 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at TLR2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01049
BindingDB Entry DOI: 10.7270/Q2XS601N |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50526708
(CHEMBL4552043)Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(C)=O)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)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C118H209N21O25S2/c1-14-17-19-21-23-25-27-29-31-33-35-37-39-57-99(145)163-73-83(164-100(146)58-40-38-36-34-32-30-28-26-24-22-20-18-15-2)74-166-75-97(125-81(12)143)115(158)136-95(71-140)113(156)129-88(55-45-49-64-121)106(149)127-86(53-43-47-62-119)104(147)126-87(54-44-48-63-120)105(148)128-89(56-46-50-65-122)107(150)135-96(72-141)114(157)133-93(68-77(6)7)111(154)132-92(67-76(4)5)110(153)130-91(61-66-165-13)108(151)134-94(69-82-70-124-85-52-42-41-51-84(82)85)112(155)138-102(79(10)16-3)116(159)139-103(80(11)142)117(160)131-90(59-60-98(123)144)109(152)137-101(78(8)9)118(161)162/h41-42,51-52,70,76-80,83,86-97,101-103,124,140-142H,14-40,43-50,53-69,71-75,119-122H2,1-13H3,(H2,123,144)(H,125,143)(H,126,147)(H,127,149)(H,128,148)(H,129,156)(H,130,153)(H,131,160)(H,132,154)(H,133,157)(H,134,151)(H,135,150)(H,136,158)(H,137,152)(H,138,155)(H,139,159)(H,161,162)/t79-,80+,83+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.281 | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass... |
J Med Chem 63: 2282-2291 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01044
BindingDB Entry DOI: 10.7270/Q2NV9NPC |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50552143
(CHEMBL4759425)Show SMILES CCCCCCCCCCCCCCCC(=O)OCCCC[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)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)CC(C)C)OC(=O)CCCCCCCCCCCCCCC |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at TLR2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01049
BindingDB Entry DOI: 10.7270/Q2XS601N |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50526714
(CHEMBL4442356)Show SMILES CCCCCCCCCCCCCCCC(=O)OCCCC[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)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C119H213N21O24S2/c1-13-16-18-20-22-24-26-28-30-32-34-36-38-59-100(145)163-68-51-46-52-84(164-101(146)60-39-37-35-33-31-29-27-25-23-21-19-17-14-2)76-166-77-86(124)105(147)136-97(74-141)115(157)130-90(57-44-49-66-122)108(150)128-88(55-42-47-64-120)106(148)127-89(56-43-48-65-121)107(149)129-91(58-45-50-67-123)109(151)137-98(75-142)116(158)134-95(71-79(6)7)113(155)133-94(70-78(4)5)112(154)131-93(63-69-165-12)110(152)135-96(72-83-73-126-87-54-41-40-53-85(83)87)114(156)139-103(81(10)15-3)117(159)140-104(82(11)143)118(160)132-92(61-62-99(125)144)111(153)138-102(80(8)9)119(161)162/h40-41,53-54,73,78-82,84,86,88-98,102-104,126,141-143H,13-39,42-52,55-72,74-77,120-124H2,1-12H3,(H2,125,144)(H,127,148)(H,128,150)(H,129,149)(H,130,157)(H,131,154)(H,132,160)(H,133,155)(H,134,158)(H,135,152)(H,136,147)(H,137,151)(H,138,153)(H,139,156)(H,140,159)(H,161,162)/t81-,82+,84+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,102-,103-,104-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.304 | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass... |
J Med Chem 63: 2282-2291 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01044
BindingDB Entry DOI: 10.7270/Q2NV9NPC |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50552142
(CHEMBL4791879)Show SMILES CCCCCCCCCCCCCCCC(=O)OCCC[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)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)CC(C)C)OC(=O)CCCCCCCCCCCCCCC |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.380 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at TLR2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01049
BindingDB Entry DOI: 10.7270/Q2XS601N |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50526709
(CHEMBL4546202)Show SMILES CCCCCCCCCCCCCCCC(=O)OCCC[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)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C118H211N21O24S2/c1-13-16-18-20-22-24-26-28-30-32-34-36-38-58-99(144)162-67-50-51-83(163-100(145)59-39-37-35-33-31-29-27-25-23-21-19-17-14-2)75-165-76-85(123)104(146)135-96(73-140)114(156)129-89(56-44-48-65-121)107(149)127-87(54-42-46-63-119)105(147)126-88(55-43-47-64-120)106(148)128-90(57-45-49-66-122)108(150)136-97(74-141)115(157)133-94(70-78(6)7)112(154)132-93(69-77(4)5)111(153)130-92(62-68-164-12)109(151)134-95(71-82-72-125-86-53-41-40-52-84(82)86)113(155)138-102(80(10)15-3)116(158)139-103(81(11)142)117(159)131-91(60-61-98(124)143)110(152)137-101(79(8)9)118(160)161/h40-41,52-53,72,77-81,83,85,87-97,101-103,125,140-142H,13-39,42-51,54-71,73-76,119-123H2,1-12H3,(H2,124,143)(H,126,147)(H,127,149)(H,128,148)(H,129,156)(H,130,153)(H,131,159)(H,132,154)(H,133,157)(H,134,151)(H,135,146)(H,136,150)(H,137,152)(H,138,155)(H,139,158)(H,160,161)/t80-,81+,83+,85-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.383 | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass... |
J Med Chem 63: 2282-2291 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01044
BindingDB Entry DOI: 10.7270/Q2NV9NPC |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50358537
(CHEMBL1923536)Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)OC(C)C)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C43H82N2O7S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-40(46)50-34-38(35-53-36-39(44)43(49)45-33-42(48)51-37(3)4)52-41(47)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37-39H,5-36,44H2,1-4H3,(H,45,49)/t38-,39+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.450 | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr... |
J Med Chem 54: 8148-60 (2011)
Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50526710
(CHEMBL4560927)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)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C116H207N21O24S2/c1-13-16-18-20-22-24-26-28-30-32-34-36-38-56-97(142)160-72-81(161-98(143)57-39-37-35-33-31-29-27-25-23-21-19-17-14-2)73-163-74-83(121)102(144)133-94(70-138)112(154)127-87(54-44-48-63-119)105(147)125-85(52-42-46-61-117)103(145)124-86(53-43-47-62-118)104(146)126-88(55-45-49-64-120)106(148)134-95(71-139)113(155)131-92(67-76(6)7)110(152)130-91(66-75(4)5)109(151)128-90(60-65-162-12)107(149)132-93(68-80-69-123-84-51-41-40-50-82(80)84)111(153)136-100(78(10)15-3)114(156)137-101(79(11)140)115(157)129-89(58-59-96(122)141)108(150)135-99(77(8)9)116(158)159/h40-41,50-51,69,75-79,81,83,85-95,99-101,123,138-140H,13-39,42-49,52-68,70-74,117-121H2,1-12H3,(H2,122,141)(H,124,145)(H,125,147)(H,126,146)(H,127,154)(H,128,151)(H,129,157)(H,130,152)(H,131,155)(H,132,149)(H,133,144)(H,134,148)(H,135,150)(H,136,153)(H,137,156)(H,158,159)/t78-,79+,81+,83-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,99-,100-,101-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.468 | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass... |
J Med Chem 63: 2282-2291 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01044
BindingDB Entry DOI: 10.7270/Q2NV9NPC |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50552140
(CHEMBL4780449)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)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)CC(C)C)OC(=O)CCCCCCCCCCCCCCC |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.470 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at TLR2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01049
BindingDB Entry DOI: 10.7270/Q2XS601N |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50358542
(CHEMBL1923541)Show SMILES CCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O)OC(=O)CCCCCCCCCCCCC |r| Show InChI InChI=1S/C37H70N2O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-34(41)46-28-31(29-48-30-32(38)36(43)39-33(27-40)37(44)45)47-35(42)26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,40H,3-30,38H2,1-2H3,(H,39,43)(H,44,45)/t31-,32+,33+/m1/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 0.560 | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr... |
J Med Chem 54: 8148-60 (2011)
Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600865
(CHEMBL5205616)Show SMILES [N-]=[N+]=NCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50526713
(CHEMBL4461230)Show SMILES CCCCCCCCCCCCCCCC(=O)OCC[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)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C117H209N21O24S2/c1-13-16-18-20-22-24-26-28-30-32-34-36-38-56-98(143)161-66-60-82(162-99(144)57-39-37-35-33-31-29-27-25-23-21-19-17-14-2)74-164-75-84(122)103(145)134-95(72-139)113(155)128-88(54-44-48-64-120)106(148)126-86(52-42-46-62-118)104(146)125-87(53-43-47-63-119)105(147)127-89(55-45-49-65-121)107(149)135-96(73-140)114(156)132-93(69-77(6)7)111(153)131-92(68-76(4)5)110(152)129-91(61-67-163-12)108(150)133-94(70-81-71-124-85-51-41-40-50-83(81)85)112(154)137-101(79(10)15-3)115(157)138-102(80(11)141)116(158)130-90(58-59-97(123)142)109(151)136-100(78(8)9)117(159)160/h40-41,50-51,71,76-80,82,84,86-96,100-102,124,139-141H,13-39,42-49,52-70,72-75,118-122H2,1-12H3,(H2,123,142)(H,125,146)(H,126,148)(H,127,147)(H,128,155)(H,129,152)(H,130,158)(H,131,153)(H,132,156)(H,133,150)(H,134,145)(H,135,149)(H,136,151)(H,137,154)(H,138,157)(H,159,160)/t79-,80+,82+,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-/m0/s1 | PDB
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University of Auckland
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass... |
J Med Chem 63: 2282-2291 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01044
BindingDB Entry DOI: 10.7270/Q2NV9NPC |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600930
(CHEMBL5191001)Show SMILES C[C@H](NC(=O)OC(C)(C)C)C(=O)OCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600917
(CHEMBL5195088)Show SMILES Nc1ccc(cc1)C(=O)OCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600890
(CHEMBL5196750)Show SMILES OCC(=O)OCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600880
(CHEMBL5181631)Show SMILES CC(C)(C)OC(=O)NCC(=O)OCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600888
(CHEMBL5179644)Show SMILES NCC(=O)OCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600896
(CHEMBL5183964)Show SMILES [O-][N+](=O)c1ccc(COCCCCCCCCCCCCNC(=O)[C@@H]2CN(C[C@H]2C(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)c2ccc(cc2)C(=O)N2C[C@H]([C@@H](C2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50358539
(CHEMBL1923538)Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)OC(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC |r| Show InChI InChI=1S/C47H78N2O7S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(50)54-38-42(39-57-40-43(48)47(53)49-37-46(52)55-41(3)4)56-45(51)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7-10,13-16,19-22,41-43H,5-6,11-12,17-18,23-40,48H2,1-4H3,(H,49,53)/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20-/t42-,43+/m1/s1 | PDB
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University of Kansas
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr... |
J Med Chem 54: 8148-60 (2011)
Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600870
(CHEMBL5181859)Show SMILES Fc1ccc(CCNC(=O)[C@@H]2CN(C[C@H]2C(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)c2ccc(cc2)C(=O)N2C[C@H]([C@@H](C2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50358538
(CHEMBL1923537)Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)OC(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC |r| Show InChI InChI=1S/C47H82N2O7S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(50)54-38-42(39-57-40-43(48)47(53)49-37-46(52)55-41(3)4)56-45(51)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,41-43H,5-12,17-18,23-40,48H2,1-4H3,(H,49,53)/b15-13-,16-14-,21-19-,22-20-/t42-,43+/m1/s1 | PDB
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University of Kansas
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr... |
J Med Chem 54: 8148-60 (2011)
Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50386534
(CHEMBL2048075 | US9676818, 11d)Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC |r| 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 | PDB
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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)
Article DOI: 10.1021/jm3000533
BindingDB Entry DOI: 10.7270/Q2JD4XT5 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600938
(CHEMBL5192641)Show SMILES CCCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600852
(CHEMBL5199615)Show SMILES OCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50526719
(CHEMBL4537583)Show SMILES CCCCCCCCCCCCCCCC(=O)OCC[C@H](CSC[C@H](NC(C)=O)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)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C119H211N21O25S2/c1-14-17-19-21-23-25-27-29-31-33-35-37-39-57-100(146)164-67-61-84(165-101(147)58-40-38-36-34-32-30-28-26-24-22-20-18-15-2)75-167-76-98(126-82(12)144)116(159)137-96(73-141)114(157)130-89(55-45-49-65-122)107(150)128-87(53-43-47-63-120)105(148)127-88(54-44-48-64-121)106(149)129-90(56-46-50-66-123)108(151)136-97(74-142)115(158)134-94(70-78(6)7)112(155)133-93(69-77(4)5)111(154)131-92(62-68-166-13)109(152)135-95(71-83-72-125-86-52-42-41-51-85(83)86)113(156)139-103(80(10)16-3)117(160)140-104(81(11)143)118(161)132-91(59-60-99(124)145)110(153)138-102(79(8)9)119(162)163/h41-42,51-52,72,77-81,84,87-98,102-104,125,141-143H,14-40,43-50,53-71,73-76,120-123H2,1-13H3,(H2,124,145)(H,126,144)(H,127,148)(H,128,150)(H,129,149)(H,130,157)(H,131,154)(H,132,161)(H,133,155)(H,134,158)(H,135,152)(H,136,151)(H,137,159)(H,138,153)(H,139,156)(H,140,160)(H,162,163)/t80-,81+,84+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,102-,103-,104-/m0/s1 | PDB
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University of Auckland
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass... |
J Med Chem 63: 2282-2291 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01044
BindingDB Entry DOI: 10.7270/Q2NV9NPC |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50511993
(CHEMBL4472879)Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C56H56N6O6/c63-51(57-47-25-39(47)33-13-5-1-6-14-33)43-29-61(30-44(43)52(64)58-48-26-40(48)34-15-7-2-8-16-34)55(67)37-21-23-38(24-22-37)56(68)62-31-45(53(65)59-49-27-41(49)35-17-9-3-10-18-35)46(32-62)54(66)60-50-28-42(50)36-19-11-4-12-20-36/h1-24,39-50H,25-32H2,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+/m1/s1 | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600864
(CHEMBL5179849)Show SMILES O=C(NCCCCCCCCCCCCC#C)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600848
(CHEMBL5190772)Show SMILES COC(=O)CCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50358543
(CHEMBL1923542)Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C45H86N2O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(49)54-36-39(37-56-38-40(46)44(51)47-41(35-48)45(52)53)55-43(50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-41,48H,3-38,46H2,1-2H3,(H,47,51)(H,52,53)/t39-,40+,41+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.47 | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr... |
J Med Chem 54: 8148-60 (2011)
Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600877
(CHEMBL5203424)Show SMILES CC(=O)OCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50358546
(CHEMBL1923545)Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CNCCCOCCOCCOCCCN)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C37H72N4O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-34(43)52-31(29-53-30-32(39)36(45)41-33(27-42)37(46)47)28-51-35(44)26-40-19-16-21-49-23-25-50-24-22-48-20-15-18-38/h31-33,40,42H,2-30,38-39H2,1H3,(H,41,45)(H,46,47)/t31-,32+,33+/m1/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 1.55 | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr... |
J Med Chem 54: 8148-60 (2011)
Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50386538
(CHEMBL2048076 | US9676818, 11e)Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(=O)CCC)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C29H54N2O7S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-27(34)38-20-21-39-23-25(30-26(33)18-5-2)28(35)31-24(22-32)29(36)37-3/h24-25,32H,4-23H2,1-3H3,(H,30,33)(H,31,35)/t24-,25-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.64 | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm3000533
BindingDB Entry DOI: 10.7270/Q2JD4XT5 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600894
(CHEMBL5169958)Show SMILES CC(C)(C)OC(=O)COCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50358549
(CHEMBL1923548)Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](CO)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C25H48N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(30)34-20(16-28)18-35-19-21(26)24(31)27-22(17-29)25(32)33/h20-22,28-29H,2-19,26H2,1H3,(H,27,31)(H,32,33)/t20-,21+,22+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.86 | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr... |
J Med Chem 54: 8148-60 (2011)
Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50358548
(CHEMBL1923547)Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C25H48N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(30)34-17-20(29)18-35-19-21(26)24(31)27-22(16-28)25(32)33/h20-22,28-29H,2-19,26H2,1H3,(H,27,31)(H,32,33)/t20-,21+,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PubMed
| n/a | n/a | n/a | n/a | 1.95 | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr... |
J Med Chem 54: 8148-60 (2011)
Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600897
(CHEMBL5184916)Show SMILES Nc1ccc(COCCCCCCCCCCCCNC(=O)[C@@H]2CN(C[C@H]2C(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)c2ccc(cc2)C(=O)N2C[C@H]([C@@H](C2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600921
(CHEMBL5191273)Show SMILES OC(=O)c1ccc(cc1)C(=O)OCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600937
(CHEMBL5169846)Show SMILES CCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50358545
(CHEMBL1923544)Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CNCCCOCCOCCOCC)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C36H69N3O11S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-33(41)50-30(28-51-29-31(37)35(43)39-32(26-40)36(44)45)27-49-34(42)25-38-19-17-20-47-23-24-48-22-21-46-4-2/h30-32,38,40H,3-29,37H2,1-2H3,(H,39,43)(H,44,45)/t30-,31+,32+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.11 | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr... |
J Med Chem 54: 8148-60 (2011)
Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600915
(CHEMBL5206742)Show SMILES CC(C)(C)OC(=O)NCC(=O)NCC(=O)OCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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GoogleScholar
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| PC cid
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| n/a | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600871
(CHEMBL5201759)Show SMILES Oc1ccc(CCCCCCCCNC(=O)[C@@H]2CN(C[C@H]2C(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)c2ccc(cc2)C(=O)N2C[C@H]([C@@H](C2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r| | PDB
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GoogleScholar
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| PC cid
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| n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600939
(CHEMBL5170841)Show SMILES CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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| PC cid
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| n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600862
(CHEMBL5172228)Show SMILES CC(C)(C)OC(=O)NCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
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| PC cid
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| n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50358547
(CHEMBL1923546)Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CNCCCNCCCCNCCCN)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C37H74N6O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-34(45)51-31(29-52-30-32(39)36(47)43-33(27-44)37(48)49)28-50-35(46)26-42-25-18-24-41-22-16-15-21-40-23-17-20-38/h31-33,40-42,44H,2-30,38-39H2,1H3,(H,43,47)(H,48,49)/t31-,32+,33+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.23 | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr... |
J Med Chem 54: 8148-60 (2011)
Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600900
(CHEMBL5198565)Show SMILES CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)OCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600882
(CHEMBL5180856)Show SMILES ClC(Cl)(Cl)COC(=O)NCC(=O)OCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Mus musculus) | BDBM50600886
(CHEMBL5203059)Show SMILES FC(F)(F)C(=O)NCC(=O)OCCCCCCCCCCCCNC(=O)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50358550
(CHEMBL1923549 | US9676818, 6d)Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C25H48N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(29)33-17-18-34-20-21(26)24(30)27-22(19-28)25(31)32-2/h21-22,28H,3-20,26H2,1-2H3,(H,27,30)/t21-,22-/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 3.63 | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm3000533
BindingDB Entry DOI: 10.7270/Q2JD4XT5 |
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Ligand-Target Pair | |
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