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Patent code US9676818

Compile Data Set for Download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM50358550
PNG
(CHEMBL1923549 | US9676818, 6d)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC
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
UniProtKB/SwissProt

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US Patent
n/an/an/an/a 3.63E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199332
PNG
(US9676818, 52)
Show SMILES CCCCCCCCCCCCCCCCOC(=O)NCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)NCCCN(C)C
Show InChI InChI=1S/C32H63N5O6S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-43-32(42)34-21-24-44-26-29(35-27(2)39)31(41)36-28(25-38)30(40)33-20-19-22-37(3)4/h28-29,38H,5-26H2,1-4H3,(H,33,40)(H,34,42)(H,35,39)(H,36,41)/t28-,29-/m0/s1
UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 279n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199302
PNG
(US9676818, 27)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](COC(=O)CCC(O)=O)C(=O)OC
Show InChI InChI=1S/C31H54N2O10S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(37)42-20-21-44-23-26(32-24(2)34)30(39)33-25(31(40)41-3)22-43-29(38)19-18-27(35)36/h25-26H,4-23H2,1-3H3,(H,32,34)(H,33,39)(H,35,36)/t25-,26-/m0/s1
UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 518n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199435
PNG
(US9676818, 66)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC)OC=O
Show InChI InChI=1S/C26H46N2O9S/c1-4-5-6-7-8-9-10-11-12-13-21(37-19-30)16-24(32)36-14-15-38-18-23(27-20(2)31)25(33)28-22(17-29)26(34)35-3/h19,21-23,29H,4-18H2,1-3H3,(H,27,31)(H,28,33)/t21-,22+,23+/m1/s1
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US Patent
n/an/an/an/a 808n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199474
PNG
(US9676818, 87)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCCCC
Show InChI InChI=1S/C37H68N2O9S/c1-5-7-9-11-13-15-17-19-21-23-31(48-34(42)24-22-20-18-16-14-12-10-8-6-2)27-35(43)47-25-26-49-29-33(38-30(3)41)36(44)39-32(28-40)37(45)46-4/h31-33,40H,5-29H2,1-4H3,(H,38,41)(H,39,44)/t31-,32+,33+/m1/s1
UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/an/an/a 2.07E+4n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM50386535
PNG
(CHEMBL2048219 | US9676818, 11h)
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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US Patent
n/an/an/an/a 4.45E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199327
PNG
(US9676818, 34)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C27H51N3O6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(33)28-18-19-37-21-24(29-22(2)32)26(34)30-23(20-31)27(35)36-3/h23-24,31H,4-21H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)/t23-,24-/m0/s1
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UniChem
US Patent
n/an/an/an/a 1.18E+4n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199434
PNG
(US9676818, 65)
Show SMILES CCCCCCCCCCC[C@@H](O)CC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C25H46N2O8S/c1-4-5-6-7-8-9-10-11-12-13-20(30)16-23(31)35-14-15-36-18-22(26-19(2)29)24(32)27-21(17-28)25(33)34-3/h20-22,28,30H,4-18H2,1-3H3,(H,26,29)(H,27,32)/t20-,21+,22+/m1/s1
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US Patent
n/an/an/an/a 1.13E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199461
PNG
(US9676818, 83)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCC
Show InChI InChI=1S/C29H52N2O9S/c1-5-7-8-9-10-11-12-13-14-16-23(40-26(34)15-6-2)19-27(35)39-17-18-41-21-25(30-22(3)33)28(36)31-24(20-32)29(37)38-4/h23-25,32H,5-21H2,1-4H3,(H,30,33)(H,31,36)/t23-,24+,25+/m1/s1
UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/an/an/a 345n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199462
PNG
(US9676818, 84)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCC
Show InChI InChI=1S/C31H56N2O9S/c1-5-7-9-10-11-12-13-14-16-17-25(42-28(36)18-15-8-6-2)21-29(37)41-19-20-43-23-27(32-24(3)35)30(38)33-26(22-34)31(39)40-4/h25-27,34H,5-23H2,1-4H3,(H,32,35)(H,33,38)/t25-,26+,27+/m1/s1
UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 1.50E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199475
PNG
(US9676818, 88)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C39H72N2O9S/c1-5-7-9-11-13-15-16-18-20-22-24-26-36(44)50-33(25-23-21-19-17-14-12-10-8-6-2)29-37(45)49-27-28-51-31-35(40-32(3)43)38(46)41-34(30-42)39(47)48-4/h33-35,42H,5-31H2,1-4H3,(H,40,43)(H,41,46)/t33-,34+,35+/m1/s1
UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 9.52E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM50386537
PNG
(CHEMBL2048077 | US9676818, 11f)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(=O)CCCCCCC)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C33H62N2O7S/c1-4-6-8-10-11-12-13-14-15-16-17-19-21-23-31(38)42-24-25-43-27-29(32(39)35-28(26-36)33(40)41-3)34-30(37)22-20-18-9-7-5-2/h28-29,36H,4-27H2,1-3H3,(H,34,37)(H,35,39)/t28-,29-/m0/s1
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US Patent
n/an/an/an/a 3.80E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199330
PNG
(US9676818, 45)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C28H53N3O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-28(36)38-19-20-39-22-25(30-23(2)33)26(34)31-24(21-32)27(35)37-3/h24-25,32H,4-22H2,1-3H3,(H,29,36)(H,30,33)(H,31,34)/t24-,25-/m0/s1
UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 323n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199331
PNG
(US9676818, 48)
Show SMILES CCCCCCCCCCCCCCCCOC(=O)NCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C28H53N3O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-38-28(36)29-18-20-39-22-25(30-23(2)33)26(34)31-24(21-32)27(35)37-3/h24-25,32H,4-22H2,1-3H3,(H,29,36)(H,30,33)(H,31,34)/t24-,25-/m0/s1
UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
n/an/an/an/a 61.5n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199433
PNG
(US9676818, 54)
Show SMILES CCCCCCCCCCCCCCCCOC(=O)NCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)NCc1ccc(Cn2c(CCCC)nc3c(N)nc4ccccc4c23)cc1
Show InChI InChI=1S/C49H74N8O6S/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-21-30-63-49(62)51-29-31-64-35-42(53-36(3)59)48(61)55-41(34-58)47(60)52-32-37-25-27-38(28-26-37)33-57-43(24-7-5-2)56-44-45(57)39-22-19-20-23-40(39)54-46(44)50/h19-20,22-23,25-28,41-42,58H,4-18,21,24,29-35H2,1-3H3,(H2,50,54)(H,51,62)(H,52,60)(H,53,59)(H,55,61)/t41-,42-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.21E+5n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199473
PNG
(US9676818, 86)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCC
Show InChI InChI=1S/C35H64N2O9S/c1-5-7-9-11-13-14-16-17-19-21-29(46-32(40)22-20-18-15-12-10-8-6-2)25-33(41)45-23-24-47-27-31(36-28(3)39)34(42)37-30(26-38)35(43)44-4/h29-31,38H,5-27H2,1-4H3,(H,36,39)(H,37,42)/t29-,30+,31+/m1/s1
UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 1.29E+4n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM50386539
PNG
(CHEMBL2048067 | US9676818, 6e)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCCSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C27H52N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(31)35-19-20-36-22-23(28)26(32)29-24(21-30)27(33)34-2/h23-24,30H,3-22,28H2,1-2H3,(H,29,32)/t23-,24-/m0/s1
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US Patent
n/an/an/an/a 4.79E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199112
PNG
(US9676818, 23)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)OC
Show InChI InChI=1S/C30H57N3O6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28(35)39-22-23-40-24-27(32-25(2)34)29(36)33-26(30(37)38-3)19-17-18-21-31/h26-27H,4-24,31H2,1-3H3,(H,32,34)(H,33,36)/t26-,27-/m0/s1
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UniChem
US Patent
n/an/an/an/a 225n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199116
PNG
(US9676818, 26)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](COS(O)(=O)=O)C(=O)OC
Show InChI InChI=1S/C27H50N2O10S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(31)38-18-19-40-21-24(28-22(2)30)26(32)29-23(27(33)37-3)20-39-41(34,35)36/h23-24H,4-21H2,1-3H3,(H,28,30)(H,29,32)(H,34,35,36)/t23-,24-/m0/s1
UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/an/an/a 7.10E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199436
PNG
(US9676818, 82)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC)OC(C)=O
Show InChI InChI=1S/C27H48N2O9S/c1-5-6-7-8-9-10-11-12-13-14-22(38-21(3)32)17-25(33)37-15-16-39-19-24(28-20(2)31)26(34)29-23(18-30)27(35)36-4/h22-24,30H,5-19H2,1-4H3,(H,28,31)(H,29,34)/t22-,23+,24+/m1/s1
UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
n/an/an/an/a 182n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM50386538
PNG
(CHEMBL2048076 | US9676818, 11e)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(=O)CCC)C(=O)N[C@@H](CO)C(=O)OC
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
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n/an/an/an/a 1.64E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199104
PNG
(US9676818, 14b)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](N)C(=O)N[C@@H](COC(=O)CCC)C(=O)OC
Show InChI InChI=1S/C29H54N2O7S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-27(33)37-20-21-39-23-24(30)28(34)31-25(29(35)36-3)22-38-26(32)18-5-2/h24-25H,4-23,30H2,1-3H3,(H,31,34)/t24-,25-/m0/s1
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n/an/an/an/a 5.47E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199106
PNG
(US9676818, 14c)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](N)C(=O)N[C@@H](COC(=O)CCCCCCCCCCCCCCC)C(=O)OC
Show InChI InChI=1S/C41H78N2O7S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(44)49-32-33-51-35-36(42)40(46)43-37(41(47)48-3)34-50-39(45)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-37H,4-35,42H2,1-3H3,(H,43,46)/t36-,37-/m0/s1
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n/an/an/an/a 5.95E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM50386534
PNG
(CHEMBL2048075 | US9676818, 11d)
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 1.01E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199102
PNG
(US9676818, chem-us-00156)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](N)C(=O)N[C@@H](COC(C)=O)C(=O)OC
Show InChI InChI=1S/C27H50N2O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(31)35-18-19-37-21-23(28)26(32)29-24(27(33)34-3)20-36-22(2)30/h23-24H,4-21,28H2,1-3H3,(H,29,32)/t23-,24-/m0/s1
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n/an/an/an/a 2.97E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199463
PNG
(US9676818, 85)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCC
Show InChI InChI=1S/C33H60N2O9S/c1-5-7-9-11-12-13-14-16-17-19-27(44-30(38)20-18-15-10-8-6-2)23-31(39)43-21-22-45-25-29(34-26(3)37)32(40)35-28(24-36)33(41)42-4/h27-29,36H,5-25H2,1-4H3,(H,34,37)(H,35,40)/t27-,28+,29+/m1/s1
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n/an/an/an/a 3.08E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199481
PNG
(US9676818, 89)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C41H76N2O9S/c1-5-7-9-11-13-15-16-17-18-20-22-24-26-28-38(46)52-35(27-25-23-21-19-14-12-10-8-6-2)31-39(47)51-29-30-53-33-37(42-34(3)45)40(48)43-36(32-44)41(49)50-4/h35-37,44H,5-33H2,1-4H3,(H,42,45)(H,43,48)/t35-,36+,37+/m1/s1
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n/an/an/an/a 4.78E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199114
PNG
(US9676818, 25)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](COC(=O)[C@@H](N)CN)C(=O)OC
Show InChI InChI=1S/C30H56N4O8S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(36)41-18-19-43-22-26(33-23(2)35)28(37)34-25(30(39)40-3)21-42-29(38)24(32)20-31/h24-26H,4-22,31-32H2,1-3H3,(H,33,35)(H,34,37)/t24-,25-,26-/m0/s1
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n/an/an/an/a 6.81E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199309
PNG
(US9676818, 28)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(C)=O)C(=O)N[C@@H](COC(=O)c1cccnc1)C(=O)OC
Show InChI InChI=1S/C33H53N3O8S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30(38)43-21-22-45-25-29(35-26(2)37)31(39)36-28(33(41)42-3)24-44-32(40)27-18-17-20-34-23-27/h17-18,20,23,28-29H,4-16,19,21-22,24-25H2,1-3H3,(H,35,37)(H,36,39)/t28-,29-/m0/s1
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n/an/an/an/a 1.27E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199328
PNG
(US9676818, 38)
Show SMILES CCCCCCCCCCCCCCCCn1cc(CCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC)nn1
Show InChI InChI=1S/C29H53N5O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-34-21-25(32-33-34)18-20-40-23-27(30-24(2)36)28(37)31-26(22-35)29(38)39-3/h21,26-27,35H,4-20,22-23H2,1-3H3,(H,30,36)(H,31,37)/t26-,27-/m0/s1
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n/an/an/an/a 6.41E+5n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM199329
PNG
(US9676818, 41)
Show SMILES CCCCCCCCCCCCCc1cn(CCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC)nn1
Show InChI InChI=1S/C26H47N5O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-18-31(30-29-22)16-17-37-20-24(27-21(2)33)25(34)28-23(19-32)26(35)36-3/h18,23-24,32H,4-17,19-20H2,1-3H3,(H,27,33)(H,28,34)/t23-,24-/m0/s1
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n/an/an/an/a 2.60E+5n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM50386536
PNG
(CHEMBL2048220 | US9676818, 16)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C28H52N2O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26(33)37-19-17-20-38-22-25(29-23(2)32)27(34)30-24(21-31)28(35)36-3/h24-25,31H,4-22H2,1-3H3,(H,29,32)(H,30,34)/t24-,25-/m0/s1
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n/an/an/an/a 5.52E+3n/an/an/an/a



University of Kansas

US Patent


Assay Description
The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%