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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50045319   
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
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 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))
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))
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
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
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50056705
PNG
(CHEMBL3326944)
Show SMILES CCCCCn1c(N)nc2c(O)cccc12
Show InChI InChI=1S/C12H17N3O/c1-2-3-4-8-15-9-6-5-7-10(16)11(9)14-12(15)13/h5-7,16H,2-4,8H2,1H3,(H2,13,14)
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n/an/an/an/a 5.01E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid...


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 8


(Homo sapiens (Human))
BDBM50056704
PNG
(CHEMBL3326940)
Show SMILES CCCCCn1c(N)nc2c(cccc12)N(C)C
Show InChI InChI=1S/C14H22N4/c1-4-5-6-10-18-12-9-7-8-11(17(2)3)13(12)16-14(18)15/h7-9H,4-6,10H2,1-3H3,(H2,15,16)
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n/an/an/an/a 7.12E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid...


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 8


(Homo sapiens (Human))
BDBM50056703
PNG
(CHEMBL3326939)
Show SMILES CCCCCn1c(N)nc2c(CC)cccc12
Show InChI InChI=1S/C14H21N3/c1-3-5-6-10-17-12-9-7-8-11(4-2)13(12)16-14(17)15/h7-9H,3-6,10H2,1-2H3,(H2,15,16)
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n/an/an/an/a 1.65E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid...


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 8


(Homo sapiens (Human))
BDBM50056702
PNG
(CHEMBL3326934)
Show SMILES CCCCCn1c(N)nc2c(OC)cccc12
Show InChI InChI=1S/C13H19N3O/c1-3-4-5-9-16-10-7-6-8-11(17-2)12(10)15-13(16)14/h6-8H,3-5,9H2,1-2H3,(H2,14,15)
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n/an/an/an/a 3.74E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid...


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 8


(Homo sapiens (Human))
BDBM50056701
PNG
(CHEMBL3326933)
Show SMILES CCCCCn1c(N)nc2cccc(C)c12
Show InChI InChI=1S/C13H19N3/c1-3-4-5-9-16-12-10(2)7-6-8-11(12)15-13(16)14/h6-8H,3-5,9H2,1-2H3,(H2,14,15)
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n/an/an/an/a 6.61E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid...


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 8


(Homo sapiens (Human))
BDBM50056700
PNG
(CHEMBL3326932)
Show SMILES CCCCCn1c(N)nc2ccc(C)cc12
Show InChI InChI=1S/C13H19N3/c1-3-4-5-8-16-12-9-10(2)6-7-11(12)15-13(16)14/h6-7,9H,3-5,8H2,1-2H3,(H2,14,15)
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n/an/an/an/a 7.21E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid...


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 8


(Homo sapiens (Human))
BDBM50056699
PNG
(CHEMBL3326931)
Show SMILES CCCCCn1c(N)nc2cc(C)ccc12
Show InChI InChI=1S/C13H19N3/c1-3-4-5-8-16-12-7-6-10(2)9-11(12)15-13(16)14/h6-7,9H,3-5,8H2,1-2H3,(H2,14,15)
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n/an/an/an/a 4.57E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid...


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 8


(Homo sapiens (Human))
BDBM50056698
PNG
(CHEMBL3326930)
Show SMILES CCCCCn1c(N)nc2c(C)cccc12
Show InChI InChI=1S/C13H19N3/c1-3-4-5-9-16-11-8-6-7-10(2)12(11)15-13(16)14/h6-8H,3-5,9H2,1-2H3,(H2,14,15)
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n/an/an/an/a 1.13E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid...


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 8


(Homo sapiens (Human))
BDBM50056697
PNG
(CHEMBL3326925)
Show SMILES CCCCCn1c(N)nc2c1ccc1ccccc21
Show InChI InChI=1S/C16H19N3/c1-2-3-6-11-19-14-10-9-12-7-4-5-8-13(12)15(14)18-16(19)17/h4-5,7-10H,2-3,6,11H2,1H3,(H2,17,18)
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n/an/an/an/a 3.16E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid...


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 8


(Homo sapiens (Human))
BDBM50056696
PNG
(CHEMBL2270741)
Show SMILES CCCCCCn1c(N)nc2ccccc12
Show InChI InChI=1S/C13H19N3/c1-2-3-4-7-10-16-12-9-6-5-8-11(12)15-13(16)14/h5-6,8-9H,2-4,7,10H2,1H3,(H2,14,15)
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n/an/an/an/a 3.96E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid...


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 8


(Homo sapiens (Human))
BDBM50056695
PNG
(CHEMBL3326918)
Show SMILES CCCCCn1c(N)nc2ccccc12
Show InChI InChI=1S/C12H17N3/c1-2-3-6-9-15-11-8-5-4-7-10(11)14-12(15)13/h4-5,7-8H,2-3,6,9H2,1H3,(H2,13,14)
PDB

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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 3.23E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid...


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 8


(Homo sapiens (Human))
BDBM50056706
PNG
(CHEMBL3326946)
Show SMILES CCCCCn1c(N)nc2c(N)cccc12
Show InChI InChI=1S/C12H18N4/c1-2-3-4-8-16-10-7-5-6-9(13)11(10)15-12(16)14/h5-7H,2-4,8,13H2,1H3,(H2,14,15)
PDB

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Article
PubMed
n/an/an/an/a 6.60E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid...


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 8


(Homo sapiens (Human))
BDBM62988
PNG
((1-butylbenzimidazol-2-yl)amine;hydrochloride | 1-...)
Show SMILES CCCCn1c(N)nc2ccccc12
Show InChI InChI=1S/C11H15N3/c1-2-3-8-14-10-7-5-4-6-9(10)13-11(14)12/h4-7H,2-3,8H2,1H3,(H2,12,13)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 7.30E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid...


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