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7 similar compounds to monomer 50033106

Compile data set for download or QSAR
Wt: 452.5
BDBM50033102
Wt: 466.6
BDBM50033103
Wt: 422.5
BDBM50033105
Wt: 422.5
BDBM50033108
Wt: 408.5
BDBM50033118
Wt: 436.5
BDBM50033126
Wt: 436.5
BDBM50033107

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50033102,50033103,50033105,50033108,50033118,50033126,50033107   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM50033102
PNG
(CHEMBL3357070)
Show SMILES OCCN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C25H36N6O2/c32-17-14-29-10-12-30(13-11-29)23-4-2-21(3-5-23)24-26-20-22-6-9-31(25(22)27-24)8-1-7-28-15-18-33-19-16-28/h2-5,20,32H,1,6-19H2
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR8 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50033102
PNG
(CHEMBL3357070)
Show SMILES OCCN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C25H36N6O2/c32-17-14-29-10-12-30(13-11-29)23-4-2-21(3-5-23)24-26-20-22-6-9-31(25(22)27-24)8-1-7-28-15-18-33-19-16-28/h2-5,20,32H,1,6-19H2
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PubMed
n/an/a>970n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR7 transfected in HEK293 cells assessed as hydrolysis of pNPP after 24 hrs by SEAP reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM50033102
PNG
(CHEMBL3357070)
Show SMILES OCCN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C25H36N6O2/c32-17-14-29-10-12-30(13-11-29)23-4-2-21(3-5-23)24-26-20-22-6-9-31(25(22)27-24)8-1-7-28-15-18-33-19-16-28/h2-5,20,32H,1,6-19H2
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PubMed
n/an/a 13n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM50033103
PNG
(CHEMBL3357069)
Show SMILES COCCN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C26H38N6O2/c1-33-18-15-30-11-13-31(14-12-30)24-5-3-22(4-6-24)25-27-21-23-7-10-32(26(23)28-25)9-2-8-29-16-19-34-20-17-29/h3-6,21H,2,7-20H2,1H3
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n/an/a 28n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM50033126
PNG
(CHEMBL3356616)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCCN3CCOCC3)CCc2c(C)n1
Show InChI InChI=1S/C25H36N6O/c1-20-23-8-11-31(10-3-9-29-16-18-32-19-17-29)25(23)27-24(26-20)21-4-6-22(7-5-21)30-14-12-28(2)13-15-30/h4-7H,3,8-19H2,1-2H3
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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM50033107
PNG
(CHEMBL3357065)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCCN3CCOCC3)c2n1
Show InChI InChI=1S/C25H36N6O/c1-28-12-14-30(15-13-28)23-6-4-21(5-7-23)24-26-20-22-8-11-31(25(22)27-24)10-3-2-9-29-16-18-32-19-17-29/h4-7,20H,2-3,8-19H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM50033108
PNG
(CHEMBL3357064)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C24H34N6O/c1-27-11-13-29(14-12-27)22-5-3-20(4-6-22)23-25-19-21-7-10-30(24(21)26-23)9-2-8-28-15-17-31-18-16-28/h3-6,19H,2,7-18H2,1H3
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n/an/a 8.60n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM50033118
PNG
(CHEMBL3357063)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCN3CCOCC3)c2n1
Show InChI InChI=1S/C23H32N6O/c1-26-8-11-28(12-9-26)21-4-2-19(3-5-21)22-24-18-20-6-7-29(23(20)25-22)13-10-27-14-16-30-17-15-27/h2-5,18H,6-17H2,1H3
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n/an/a 73n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM50033105
PNG
(CHEMBL3357067)
Show SMILES CN1CCN(CC1)c1ccccc1-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C24H34N6O/c1-27-11-13-29(14-12-27)22-6-3-2-5-21(22)23-25-19-20-7-10-30(24(20)26-23)9-4-8-28-15-17-31-18-16-28/h2-3,5-6,19H,4,7-18H2,1H3
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PubMed
n/an/a 56n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair