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Compile Data Set for Download or QSAR

Found 187 hits with Last Name = 'malladi' and Initial = 'ss'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Toll-like receptor 2


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/C42H81N3O7S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(47)44-36(34-53-35-37(43)41(49)45-38(32-46)42(50)51-3)33-52-40(48)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-38,46H,4-35,43H2,1-3H3,(H,44,47)(H,45,49)/t36-,37+,38+/m1/s1
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n/an/a 48n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 53: 3198-213 (2010)


Article DOI: 10.1021/jm901839g
BindingDB Entry DOI: 10.7270/Q2Q81D7C
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50380489
PNG
(CHEMBL2018888)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)
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University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced IL-8 release after 12 hrs by bead array assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50380489
PNG
(CHEMBL2018888)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)
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n/an/a 50n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-TNF-alpha release after 12 hrs by bead array assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380489
PNG
(CHEMBL2018888)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)
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n/an/a 50n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced IL-8 release after 12 hrs by bead array assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380489
PNG
(CHEMBL2018888)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)
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University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced TNF-alpha release after 12 hrs by bead array assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380489
PNG
(CHEMBL2018888)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)
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n/an/a 50n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced IL-6 release after 12 hrs by bead array assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50380489
PNG
(CHEMBL2018888)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)
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n/an/a 50n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced IL-6 release after 12 hrs by bead array assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380489
PNG
(CHEMBL2018888)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)
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n/an/a 50n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced CXCL10 release after 12 hrs by bead array assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380489
PNG
(CHEMBL2018888)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)
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n/an/a 50n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced CCL2 release after 12 hrs by bead array assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380489
PNG
(CHEMBL2018888)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)
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n/an/a 50n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced IL-1beta release after 12 hrs by bead array assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50380489
PNG
(CHEMBL2018888)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)
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n/an/a 50n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced IL-1beta release after 12 hrs by bead array assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50380489
PNG
(CHEMBL2018888)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)
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n/an/a 50n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced CXCL10 release after 12 hrs by bead array assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50380489
PNG
(CHEMBL2018888)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)
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n/an/a 50n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced CCL2 release after 12 hrs by bead array assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380495
PNG
(CHEMBL2018887)
Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1
Show InChI InChI=1S/C50H56N10O2/c1-3-5-17-41-57-45-47(37-13-7-9-15-39(37)55-49(45)51)59(41)31-35-25-21-33(22-26-35)29-53-43(61)19-11-12-20-44(62)54-30-34-23-27-36(28-24-34)32-60-42(18-6-4-2)58-46-48(60)38-14-8-10-16-40(38)56-50(46)52/h7-10,13-16,21-28H,3-6,11-12,17-20,29-32H2,1-2H3,(H2,51,55)(H2,52,56)(H,53,61)(H,54,62)
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n/an/a 110n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380497
PNG
(CHEMBL2018897)
Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCCCCCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1
Show InChI InChI=1S/C56H68N10O2/c1-3-5-23-47-63-51-53(43-19-15-17-21-45(43)61-55(51)57)65(47)37-41-31-27-39(28-32-41)35-59-49(67)25-13-11-9-7-8-10-12-14-26-50(68)60-36-40-29-33-42(34-30-40)38-66-48(24-6-4-2)64-52-54(66)44-20-16-18-22-46(44)62-56(52)58/h15-22,27-34H,3-14,23-26,35-38H2,1-2H3,(H2,57,61)(H2,58,62)(H,59,67)(H,60,68)
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n/an/a 170n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380496
PNG
(CHEMBL2018896)
Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1
Show InChI InChI=1S/C52H60N10O2/c1-3-5-19-43-59-47-49(39-15-11-13-17-41(39)57-51(47)53)61(43)33-37-27-23-35(24-28-37)31-55-45(63)21-9-7-8-10-22-46(64)56-32-36-25-29-38(30-26-36)34-62-44(20-6-4-2)60-48-50(62)40-16-12-14-18-42(40)58-52(48)54/h11-18,23-30H,3-10,19-22,31-34H2,1-2H3,(H2,53,57)(H2,54,58)(H,55,63)(H,56,64)
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n/an/a 240n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380499
PNG
(CHEMBL2018899)
Show SMILES CCCCc1nc2c(N)nc3ccc(N)cc3c2n1Cc1ccc(CN)cc1
Show InChI InChI=1S/C22H26N6/c1-2-3-4-19-27-20-21(17-11-16(24)9-10-18(17)26-22(20)25)28(19)13-15-7-5-14(12-23)6-8-15/h5-11H,2-4,12-13,23-24H2,1H3,(H2,25,26)
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n/an/a 450n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380491
PNG
(CHEMBL2018893)
Show SMILES CCCCc1nc2c(NCCCCCCCCNc3nc4ccccc4c4n(Cc5ccccc5)c(CCCC)nc34)nc3ccccc3c2n1Cc1ccccc1
Show InChI InChI=1S/C50H58N8/c1-3-5-31-43-55-45-47(57(43)35-37-23-13-11-14-24-37)39-27-17-19-29-41(39)53-49(45)51-33-21-9-7-8-10-22-34-52-50-46-48(40-28-18-20-30-42(40)54-50)58(44(56-46)32-6-4-2)36-38-25-15-12-16-26-38/h11-20,23-30H,3-10,21-22,31-36H2,1-2H3,(H,51,53)(H,52,54)
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n/an/a 560n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380498
PNG
(CHEMBL2018898)
Show SMILES CCCCc1nc2c(N)nc3ccc(cc3c2n1Cc1ccc(CN)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H24N6O2/c1-2-3-4-19-26-20-21(27(19)13-15-7-5-14(12-23)6-8-15)17-11-16(28(29)30)9-10-18(17)25-22(20)24/h5-11H,2-4,12-13,23H2,1H3,(H2,24,25)
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n/an/a 560n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50346937
PNG
(CHEMBL1795710)
Show SMILES COc1ccc(Cn2c(nc3c2c[n+](Cc2ccc(OC)cc2)c2ccccc32)-c2ccccc2)cc1
Show InChI InChI=1S/C32H28N3O2/c1-36-26-16-12-23(13-17-26)20-34-22-30-31(28-10-6-7-11-29(28)34)33-32(25-8-4-3-5-9-25)35(30)21-24-14-18-27(37-2)19-15-24/h3-19,22H,20-21H2,1-2H3/q+1
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n/an/a 820n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR7 expressed in HEK293 cells co-transfected with NF-kappaB/sAP gene assessed as inhibition of 250 ug/ml of gardiquimod-induc...

Bioorg Med Chem 19: 3801-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.052
BindingDB Entry DOI: 10.7270/Q26Q1XMB
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/C40H78N2O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(44)47-34-36(35-49-32-31-42-40(46)37(41)33-43)48-39(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-37,43H,3-35,41H2,1-2H3,(H,42,46)/t36-,37-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 53: 3198-213 (2010)


Article DOI: 10.1021/jm901839g
BindingDB Entry DOI: 10.7270/Q2Q81D7C
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380494
PNG
(CHEMBL2018895)
Show SMILES CCCCc1nc2c(NCCCCCCCCCCCCNc3nc4ccccc4c4n(Cc5ccccc5)c(CCCC)nc34)nc3ccccc3c2n1Cc1ccccc1
Show InChI InChI=1S/C54H66N8/c1-3-5-35-47-59-49-51(61(47)39-41-27-17-15-18-28-41)43-31-21-23-33-45(43)57-53(49)55-37-25-13-11-9-7-8-10-12-14-26-38-56-54-50-52(44-32-22-24-34-46(44)58-54)62(48(60-50)36-6-4-2)40-42-29-19-16-20-30-42/h15-24,27-34H,3-14,25-26,35-40H2,1-2H3,(H,55,57)(H,56,58)
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n/an/a 1.42E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380490
PNG
(CHEMBL2018892)
Show SMILES CCCCc1nc2c(NCCCCNc3nc4ccccc4c4n(Cc5ccccc5)c(CCCC)nc34)nc3ccccc3c2n1Cc1ccccc1
Show InChI InChI=1S/C46H50N8/c1-3-5-27-39-51-41-43(53(39)31-33-19-9-7-10-20-33)35-23-13-15-25-37(35)49-45(41)47-29-17-18-30-48-46-42-44(36-24-14-16-26-38(36)50-46)54(40(52-42)28-6-4-2)32-34-21-11-8-12-22-34/h7-16,19-26H,3-6,17-18,27-32H2,1-2H3,(H,47,49)(H,48,50)
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n/an/a 2.05E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50346937
PNG
(CHEMBL1795710)
Show SMILES COc1ccc(Cn2c(nc3c2c[n+](Cc2ccc(OC)cc2)c2ccccc32)-c2ccccc2)cc1
Show InChI InChI=1S/C32H28N3O2/c1-36-26-16-12-23(13-17-26)20-34-22-30-31(28-10-6-7-11-29(28)34)33-32(25-8-4-3-5-9-25)35(30)21-24-14-18-27(37-2)19-15-24/h3-19,22H,20-21H2,1-2H3/q+1
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n/an/a 2.79E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR7 expressed in HEK293 cells co-transfected with NF-kappaB/sAP gene assessed as inhibition of 1 ug/ml of gardiquimod-induced...

Bioorg Med Chem 19: 3801-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.052
BindingDB Entry DOI: 10.7270/Q26Q1XMB
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380493
PNG
(CHEMBL2018894)
Show SMILES CCCCc1nc2c(NCCCCCCCCCCNc3nc4ccccc4c4n(Cc5ccccc5)c(CCCC)nc34)nc3ccccc3c2n1Cc1ccccc1
Show InChI InChI=1S/C52H62N8/c1-3-5-33-45-57-47-49(59(45)37-39-25-15-13-16-26-39)41-29-19-21-31-43(41)55-51(47)53-35-23-11-9-7-8-10-12-24-36-54-52-48-50(42-30-20-22-32-44(42)56-52)60(46(58-48)34-6-4-2)38-40-27-17-14-18-28-40/h13-22,25-32H,3-12,23-24,33-38H2,1-2H3,(H,53,55)(H,54,56)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380489
PNG
(CHEMBL2018888)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as inhibition of gardiquimod-induced NFkappaB activation by sAP reporter gene ...

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50380489
PNG
(CHEMBL2018888)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR8 expressed in HEK-Blue cells assessed as inhibition of CL075-induced NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380501
PNG
(CHEMBL2018901)
Show SMILES CCCCc1nc2c(N)nc3ccc(NC(=O)CCCCCCC(=O)Nc4ccc5nc(N)c6nc(CCCC)n(Cc7ccc(CN)cc7)c6c5c4)cc3c2n1Cc1ccc(CN)cc1
Show InChI InChI=1S/C52H62N12O2/c1-3-5-11-43-61-47-49(63(43)31-35-19-15-33(29-53)16-20-35)39-27-37(23-25-41(39)59-51(47)55)57-45(65)13-9-7-8-10-14-46(66)58-38-24-26-42-40(28-38)50-48(52(56)60-42)62-44(12-6-4-2)64(50)32-36-21-17-34(30-54)18-22-36/h15-28H,3-14,29-32,53-54H2,1-2H3,(H2,55,59)(H2,56,60)(H,57,65)(H,58,66)
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n/an/a 4.02E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50346937
PNG
(CHEMBL1795710)
Show SMILES COc1ccc(Cn2c(nc3c2c[n+](Cc2ccc(OC)cc2)c2ccccc32)-c2ccccc2)cc1
Show InChI InChI=1S/C32H28N3O2/c1-36-26-16-12-23(13-17-26)20-34-22-30-31(28-10-6-7-11-29(28)34)33-32(25-8-4-3-5-9-25)35(30)21-24-14-18-27(37-2)19-15-24/h3-19,22H,20-21H2,1-2H3/q+1
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n/an/a 4.55E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR8 expressed in HEK293 cells co-transfected with NF-kappaB/sAP gene assessed as inhibition of CL075-induced NF-kappaB activa...

Bioorg Med Chem 19: 3801-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.052
BindingDB Entry DOI: 10.7270/Q26Q1XMB
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50380504
PNG
(CHEMBL2018891)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCCCCCCCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C44H46N8/c45-43-39-41(33-23-15-17-25-35(33)47-43)51(29-31-19-9-7-10-20-31)37(49-39)27-13-5-3-1-2-4-6-14-28-38-50-40-42(52(38)30-32-21-11-8-12-22-32)34-24-16-18-26-36(34)48-44(40)46/h7-12,15-26H,1-6,13-14,27-30H2,(H2,45,47)(H2,46,48)
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n/an/a 4.65E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR8 expressed in HEK-Blue cells assessed as inhibition of CL075-induced NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50380497
PNG
(CHEMBL2018897)
Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCCCCCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1
Show InChI InChI=1S/C56H68N10O2/c1-3-5-23-47-63-51-53(43-19-15-17-21-45(43)61-55(51)57)65(47)37-41-31-27-39(28-32-41)35-59-49(67)25-13-11-9-7-8-10-12-14-26-50(68)60-36-40-29-33-42(34-30-40)38-66-48(24-6-4-2)64-52-54(66)44-20-16-18-22-46(44)62-56(52)58/h15-22,27-34H,3-14,23-26,35-38H2,1-2H3,(H2,57,61)(H2,58,62)(H,59,67)(H,60,68)
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n/an/a 4.78E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50346934
PNG
(CHEMBL1795707)
Show SMILES CCCCCCCCCc1nc2c(cnc3ccccc23)n1CCCO
Show InChI InChI=1S/C22H31N3O/c1-2-3-4-5-6-7-8-14-21-24-22-18-12-9-10-13-19(18)23-17-20(22)25(21)15-11-16-26/h9-10,12-13,17,26H,2-8,11,14-16H2,1H3
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n/an/a 4.81E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR8 expressed in HEK293 cells co-transfected with NF-kappaB/sAP gene assessed as inhibition of CL075-induced NF-kappaB activa...

Bioorg Med Chem 19: 3801-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.052
BindingDB Entry DOI: 10.7270/Q26Q1XMB
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380502
PNG
(CHEMBL2018902)
Show SMILES CCCCc1nc2c(N)nc3ccc(NC(=O)CCCCCCCCCCC(=O)Nc4ccc5nc(N)c6nc(CCCC)n(Cc7ccc(CN)cc7)c6c5c4)cc3c2n1Cc1ccc(CN)cc1
Show InChI InChI=1S/C56H70N12O2/c1-3-5-15-47-65-51-53(67(47)35-39-23-19-37(33-57)20-24-39)43-31-41(27-29-45(43)63-55(51)59)61-49(69)17-13-11-9-7-8-10-12-14-18-50(70)62-42-28-30-46-44(32-42)54-52(56(60)64-46)66-48(16-6-4-2)68(54)36-40-25-21-38(34-58)22-26-40/h19-32H,3-18,33-36,57-58H2,1-2H3,(H2,59,63)(H2,60,64)(H,61,69)(H,62,70)
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50380500
PNG
(CHEMBL2018900)
Show SMILES CCCCc1nc2c(N)nc3ccc(NC(=O)CCCCC(=O)Nc4ccc5nc(N)c6nc(CCCC)n(Cc7ccc(CN)cc7)c6c5c4)cc3c2n1Cc1ccc(CN)cc1
Show InChI InChI=1S/C50H58N12O2/c1-3-5-9-41-59-45-47(61(41)29-33-17-13-31(27-51)14-18-33)37-25-35(21-23-39(37)57-49(45)53)55-43(63)11-7-8-12-44(64)56-36-22-24-40-38(26-36)48-46(50(54)58-40)60-42(10-6-4-2)62(48)30-34-19-15-32(28-52)16-20-34/h13-26H,3-12,27-30,51-52H2,1-2H3,(H2,53,57)(H2,54,58)(H,55,63)(H,56,64)
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n/an/a 7.24E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay

J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50278696
PNG
(1-(2-((ethylamino)methyl)-3H-imidazo[4,5-c]quinoli...)
Show SMILES CCNCc1nc2c(cnc3ccccc23)n1CC(C)(C)O
Show InChI InChI=1S/C17H22N4O/c1-4-18-10-15-20-16-12-7-5-6-8-13(12)19-9-14(16)21(15)11-17(2,3)22/h5-9,18,22H,4,10-11H2,1-3H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR7 (unknown origin) expressed in HEK293 cells by spectrophotometry in presence of 250 ng/mL gardiquimod

Bioorg Med Chem Lett 19: 2211-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.100
BindingDB Entry DOI: 10.7270/Q2WD40F5
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50346935
PNG
(CHEMBL1795708)
Show SMILES CCCCCCCCCc1nc2c(cnc3ccccc23)n1CC#C
Show InChI InChI=1S/C22H27N3/c1-3-5-6-7-8-9-10-15-21-24-22-18-13-11-12-14-19(18)23-17-20(22)25(21)16-4-2/h2,11-14,17H,3,5-10,15-16H2,1H3
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n/an/a 8.58E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR7 expressed in HEK293 cells co-transfected with NF-kappaB/sAP gene assessed as inhibition of 1 ug/ml of gardiquimod-induced...

Bioorg Med Chem 19: 3801-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.052
BindingDB Entry DOI: 10.7270/Q26Q1XMB
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))		BDBM50056694
PNG
(CHEMBL3326943)
Show SMILES CCCCCn1c(N)nc2c(OCc3ccccc3)cccc12
Show InChI InChI=1S/C19H23N3O/c1-2-3-7-13-22-16-11-8-12-17(18(16)21-19(22)20)23-14-15-9-5-4-6-10-15/h4-6,8-12H,2-3,7,13-14H2,1H3,(H2,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liq...

J Med Chem 57: 7325-41 (2014)


Article DOI: 10.1021/jm500701q
BindingDB Entry DOI: 10.7270/Q2JS9S3S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))		BDBM50056693
PNG
(CHEMBL3326942)
Show SMILES CCCCCn1c(N)nc2c(Cc3ccccc3)cccc12
Show InChI InChI=1S/C19H23N3/c1-2-3-7-13-22-17-12-8-11-16(18(17)21-19(22)20)14-15-9-5-4-6-10-15/h4-6,8-12H,2-3,7,13-14H2,1H3,(H2,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liq...

J Med Chem 57: 7325-41 (2014)


Article DOI: 10.1021/jm500701q
BindingDB Entry DOI: 10.7270/Q2JS9S3S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))		BDBM50056692
PNG
(CHEMBL3326941)
Show SMILES CCCCCn1c(N)nc2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C18H21N3/c1-2-3-7-13-21-16-12-8-11-15(17(16)20-18(21)19)14-9-5-4-6-10-14/h4-6,8-12H,2-3,7,13H2,1H3,(H2,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liq...

J Med Chem 57: 7325-41 (2014)


Article DOI: 10.1021/jm500701q
BindingDB Entry DOI: 10.7270/Q2JS9S3S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))		BDBM50056691
PNG
(CHEMBL3326924)
Show SMILES CCCCCn1c(N)nc2ccc3ccccc3c12
Show InChI InChI=1S/C16H19N3/c1-2-3-6-11-19-15-13-8-5-4-7-12(13)9-10-14(15)18-16(19)17/h4-5,7-10H,2-3,6,11H2,1H3,(H2,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liq...

J Med Chem 57: 7325-41 (2014)


Article DOI: 10.1021/jm500701q
BindingDB Entry DOI: 10.7270/Q2JS9S3S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))		BDBM50056690
PNG
(CHEMBL3326923)
Show SMILES CCCCCn1c(N)nc2cc3ccccc3cc12
Show InChI InChI=1S/C16H19N3/c1-2-3-6-9-19-15-11-13-8-5-4-7-12(13)10-14(15)18-16(19)17/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H2,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liq...

J Med Chem 57: 7325-41 (2014)


Article DOI: 10.1021/jm500701q
BindingDB Entry DOI: 10.7270/Q2JS9S3S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))		BDBM50056689
PNG
(CHEMBL3326922)
Show SMILES CCCCCn1c(NC(C)=O)nc2ccccc12
Show InChI InChI=1S/C14H19N3O/c1-3-4-7-10-17-13-9-6-5-8-12(13)16-14(17)15-11(2)18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,15,16,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liq...

J Med Chem 57: 7325-41 (2014)


Article DOI: 10.1021/jm500701q
BindingDB Entry DOI: 10.7270/Q2JS9S3S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))		BDBM50056694
PNG
(CHEMBL3326943)
Show SMILES CCCCCn1c(N)nc2c(OCc3ccccc3)cccc12
Show InChI InChI=1S/C19H23N3O/c1-2-3-7-13-22-16-11-8-12-17(18(16)21-19(22)20)23-14-15-9-5-4-6-10-15/h4-6,8-12H,2-3,7,13-14H2,1H3,(H2,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liq...

J Med Chem 57: 7325-41 (2014)


Article DOI: 10.1021/jm500701q
BindingDB Entry DOI: 10.7270/Q2JS9S3S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))		BDBM50056693
PNG
(CHEMBL3326942)
Show SMILES CCCCCn1c(N)nc2c(Cc3ccccc3)cccc12
Show InChI InChI=1S/C19H23N3/c1-2-3-7-13-22-17-12-8-11-16(18(17)21-19(22)20)14-15-9-5-4-6-10-15/h4-6,8-12H,2-3,7,13-14H2,1H3,(H2,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liq...

J Med Chem 57: 7325-41 (2014)


Article DOI: 10.1021/jm500701q
BindingDB Entry DOI: 10.7270/Q2JS9S3S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))		BDBM50056692
PNG
(CHEMBL3326941)
Show SMILES CCCCCn1c(N)nc2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C18H21N3/c1-2-3-7-13-21-16-12-8-11-15(17(16)20-18(21)19)14-9-5-4-6-10-14/h4-6,8-12H,2-3,7,13H2,1H3,(H2,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liq...

J Med Chem 57: 7325-41 (2014)


Article DOI: 10.1021/jm500701q
BindingDB Entry DOI: 10.7270/Q2JS9S3S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))		BDBM50056691
PNG
(CHEMBL3326924)
Show SMILES CCCCCn1c(N)nc2ccc3ccccc3c12
Show InChI InChI=1S/C16H19N3/c1-2-3-6-11-19-15-13-8-5-4-7-12(13)9-10-14(15)18-16(19)17/h4-5,7-10H,2-3,6,11H2,1H3,(H2,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liq...

J Med Chem 57: 7325-41 (2014)


Article DOI: 10.1021/jm500701q
BindingDB Entry DOI: 10.7270/Q2JS9S3S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))		BDBM50056689
PNG
(CHEMBL3326922)
Show SMILES CCCCCn1c(NC(C)=O)nc2ccccc12
Show InChI InChI=1S/C14H19N3O/c1-3-4-7-10-17-13-9-6-5-8-12(13)16-14(17)15-11(2)18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,15,16,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liq...

J Med Chem 57: 7325-41 (2014)


Article DOI: 10.1021/jm500701q
BindingDB Entry DOI: 10.7270/Q2JS9S3S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))		BDBM50056690
PNG
(CHEMBL3326923)
Show SMILES CCCCCn1c(N)nc2cc3ccccc3cc12
Show InChI InChI=1S/C16H19N3/c1-2-3-6-9-19-15-11-13-8-5-4-7-12(13)10-14(15)18-16(19)17/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H2,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liq...

J Med Chem 57: 7325-41 (2014)


Article DOI: 10.1021/jm500701q
BindingDB Entry DOI: 10.7270/Q2JS9S3S
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50346935
PNG
(CHEMBL1795708)
Show SMILES CCCCCCCCCc1nc2c(cnc3ccccc23)n1CC#C
Show InChI InChI=1S/C22H27N3/c1-3-5-6-7-8-9-10-15-21-24-22-18-13-11-12-14-19(18)23-17-20(22)25(21)16-4-2/h2,11-14,17H,3,5-10,15-16H2,1H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR8 expressed in HEK293 cells co-transfected with NF-kappaB/sAP gene assessed as inhibition of CL075-induced NF-kappaB activa...

Bioorg Med Chem 19: 3801-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.052
BindingDB Entry DOI: 10.7270/Q26Q1XMB
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50346936
PNG
(CHEMBL1795709)
Show SMILES CCCCCCCCCc1nc2c(cnc3ccccc23)n1C
Show InChI InChI=1S/C20H27N3/c1-3-4-5-6-7-8-9-14-19-22-20-16-12-10-11-13-17(16)21-15-18(20)23(19)2/h10-13,15H,3-9,14H2,1-2H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at TLR7 expressed in HEK293 cells co-transfected with NF-kappaB/sAP gene assessed as inhibition of 1 ug/ml of gardiquimod-induced...

Bioorg Med Chem 19: 3801-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.052
BindingDB Entry DOI: 10.7270/Q26Q1XMB
More data for this
Ligand-Target Pair
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