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Compile Data Set for Download or QSAR

Found 264 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 9' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 9


(Homo sapiens)
BDBM50033123
PNG
(CHEMBL3356618)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCCN3CCCC3)CCc2c(C)n1
Show InChI InChI=1S/C25H36N6/c1-20-23-10-15-31(14-5-13-29-11-3-4-12-29)25(23)27-24(26-20)21-6-8-22(9-7-21)30-18-16-28(2)17-19-30/h6-9H,3-5,10-19H2,1-2H3
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n/an/a 3.5n/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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
BDBM50033119
PNG
(CHEMBL3357062)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCCC3)c2n1
Show InChI InChI=1S/C24H34N6/c1-27-15-17-29(18-16-27)22-7-5-20(6-8-22)23-25-19-21-9-14-30(24(21)26-23)13-4-12-28-10-2-3-11-28/h5-8,19H,2-4,9-18H2,1H3
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n/an/a 3.90n/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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
BDBM50033101
PNG
(CHEMBL2144205)
Show SMILES COc1cc2nc(nc(NCCN3CCOCC3)c2cc1OC)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C27H36N6O3/c1-31-10-12-33(13-11-31)21-6-4-20(5-7-21)26-29-23-19-25(35-3)24(34-2)18-22(23)27(30-26)28-8-9-32-14-16-36-17-15-32/h4-7,18-19H,8-17H2,1-3H3,(H,28,29,30)
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n/an/a 4.60n/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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
BDBM50033124
PNG
(CHEMBL3356617)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCN3CCCC3)CCc2c(C)n1
Show InChI InChI=1S/C24H34N6/c1-19-22-9-12-30(18-15-28-10-3-4-11-28)24(22)26-23(25-19)20-5-7-21(8-6-20)29-16-13-27(2)14-17-29/h5-8H,3-4,9-18H2,1-2H3
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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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
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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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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
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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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


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM50274714
PNG
(2-(4-(4-methylpiperazin-1-yl)phenyl)-N-(2-morpholi...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc(NCCN2CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H32N6O/c1-29-12-14-31(15-13-29)21-8-6-20(7-9-21)24-27-23-5-3-2-4-22(23)25(28-24)26-10-11-30-16-18-32-19-17-30/h2-9H,10-19H2,1H3,(H,26,27,28)
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n/an/a 20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK293 cells assessed as blockade of CpG oligonucleotide-induced immune response by NFkappaB luciferas...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
BDBM50033132
PNG
(CHEMBL3356615)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCN3CCOCC3)CCc2c(C)n1
Show InChI InChI=1S/C24H34N6O/c1-19-22-7-8-30(14-11-28-15-17-31-18-16-28)24(22)26-23(25-19)20-3-5-21(6-4-20)29-12-9-27(2)10-13-29/h3-6H,7-18H2,1-2H3
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n/an/a 20n/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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
BDBM50033140
PNG
(CHEMBL3356611)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2CCCCc2c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C25H36N6O/c1-29-12-14-31(15-13-29)21-8-6-20(7-9-21)24-27-23-5-3-2-4-22(23)25(28-24)26-10-11-30-16-18-32-19-17-30/h6-9H,2-5,10-19H2,1H3,(H,26,27,28)
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n/an/a 27n/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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM50274715
PNG
(CHEMBL515364 | N-(2-(dimethylamino)ethyl)-2-(4-(4-...)
Show SMILES CN(C)CCNc1nc(nc2ccccc12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H30N6/c1-27(2)13-12-24-23-20-6-4-5-7-21(20)25-22(26-23)18-8-10-19(11-9-18)29-16-14-28(3)15-17-29/h4-11H,12-17H2,1-3H3,(H,24,25,26)
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n/an/a 30n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK293 cells assessed as blockade of CpG oligonucleotide-induced immune response by NFkappaB luciferas...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
BDBM50033135
PNG
(CHEMBL3356614)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc(C)c(C)c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C23H34N6O/c1-18-19(2)25-23(26-22(18)24-8-9-28-14-16-30-17-15-28)20-4-6-21(7-5-20)29-12-10-27(3)11-13-29/h4-7H,8-17H2,1-3H3,(H,24,25,26)
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n/an/a 35n/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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
BDBM50033106
PNG
(CHEMBL3357066)
Show SMILES CN1CCN(CC1)c1cccc(c1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C24H34N6O/c1-27-10-12-29(13-11-27)22-5-2-4-20(18-22)23-25-19-21-6-9-30(24(21)26-23)8-3-7-28-14-16-31-17-15-28/h2,4-5,18-19H,3,6-17H2,1H3
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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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
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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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


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM83280
PNG
((2S,3S)-2,3-bis(p-anisyl)-1,4-dioxaspiro[4.5]deca-...)
Show SMILES COc1ccc(C[C@@H]2OC3(O[C@H]2Cc2ccc(OC)cc2)C=CC(=O)C=C3)cc1
Show InChI InChI=1S/C24H24O5/c1-26-20-7-3-17(4-8-20)15-22-23(16-18-5-9-21(27-2)10-6-18)29-24(28-22)13-11-19(25)12-14-24/h3-14,22-23H,15-16H2,1-2H3/t22-,23-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
BDBM50033120
PNG
(CHEMBL3357061)
Show SMILES CN(C)c1nc(nc2N(CCCN3CCCC3)CCc12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H39N7/c1-29(2)25-23-11-16-33(15-6-14-31-12-4-5-13-31)26(23)28-24(27-25)21-7-9-22(10-8-21)32-19-17-30(3)18-20-32/h7-10H,4-6,11-20H2,1-3H3
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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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
BDBM50033122
PNG
(CHEMBL3356619)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCCN3CCCC3)CCc2c(Cl)n1
Show InChI InChI=1S/C24H33ClN6/c1-28-15-17-30(18-16-28)20-7-5-19(6-8-20)23-26-22(25)21-9-14-31(24(21)27-23)13-4-12-29-10-2-3-11-29/h5-8H,2-4,9-18H2,1H3
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n/an/a 84n/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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
BDBM50033121
PNG
(CHEMBL3357060)
Show SMILES COc1nc(nc2N(CCCN3CCCC3)CCc12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C25H36N6O/c1-28-16-18-30(19-17-28)21-8-6-20(7-9-21)23-26-24-22(25(27-23)32-2)10-15-31(24)14-5-13-29-11-3-4-12-29/h6-9H,3-5,10-19H2,1-2H3
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n/an/a 120n/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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
BDBM50033136
PNG
(CHEMBL3356613)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc(C)c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C22H32N6O/c1-18-17-24-22(25-21(18)23-7-8-27-13-15-29-16-14-27)19-3-5-20(6-4-19)28-11-9-26(2)10-12-28/h3-6,17H,7-16H2,1-2H3,(H,23,24,25)
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n/an/a 120n/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


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM83279
PNG
((2R,3R)-2,3-bis(phenylmethyl)-1,4-dioxaspiro[4.5]d...)
Show SMILES O=C1C=CC2(O[C@H](Cc3ccccc3)[C@@H](Cc3ccccc3)O2)C=C1
Show InChI InChI=1S/C22H20O3/c23-19-11-13-22(14-12-19)24-20(15-17-7-3-1-4-8-17)21(25-22)16-18-9-5-2-6-10-18/h1-14,20-21H,15-16H2/t20-,21-/m1/s1
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n/an/a 155n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM83276
PNG
(MLS002702141 | SMR001565706 | [(1E,3E)-4-(benzenes...)
Show SMILES O=S(=O)(\C=C\C=C\S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H14O4S2/c17-21(18,15-9-3-1-4-10-15)13-7-8-14-22(19,20)16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+
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n/an/a 160n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
BDBM50033164
PNG
(CHEMBL3356610)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2CCOCc2c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C24H34N6O2/c1-28-9-11-30(12-10-28)20-4-2-19(3-5-20)23-26-22-6-15-32-18-21(22)24(27-23)25-7-8-29-13-16-31-17-14-29/h2-5H,6-18H2,1H3,(H,25,26,27)
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n/an/a 190n/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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
BDBM50033138
PNG
(CHEMBL3356612)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nccc(NCCN2CCOCC2)n1
Show InChI InChI=1S/C21H30N6O/c1-25-10-12-27(13-11-25)19-4-2-18(3-5-19)21-23-7-6-20(24-21)22-8-9-26-14-16-28-17-15-26/h2-7H,8-17H2,1H3,(H,22,23,24)
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n/an/a 190n/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


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens)
BDBM50033104
PNG
(CHEMBL3357068)
Show SMILES CN1CCN(C(=O)C1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C24H32N6O2/c1-27-11-12-30(22(31)18-27)21-5-3-19(4-6-21)23-25-17-20-7-10-29(24(20)26-23)9-2-8-28-13-15-32-16-14-28/h3-6,17H,2,7-16,18H2,1H3
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n/an/a>1.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM81263
PNG
(Brilliant green | MLS001359824 | SMR001224398 | [4...)
Show SMILES CCN(CC)c1ccc(cc1)[C+](c1ccccc1)c1ccc(cc1)N(CC)CC
Show InChI InChI=1S/C27H33N2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4/h9-21H,5-8H2,1-4H3/q+1
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n/an/a 1.51E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM50208827
PNG
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
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n/an/a 1.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM50274678
PNG
(CHEMBL485553 | N,N-dimethyl-2-(2-(4-(4-methylpiper...)
Show SMILES CN(C)CCOc1nc(nc2ccccc12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H29N5O/c1-26(2)16-17-29-23-20-6-4-5-7-21(20)24-22(25-23)18-8-10-19(11-9-18)28-14-12-27(3)13-15-28/h4-11H,12-17H2,1-3H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK293 cells assessed as blockade of CpG oligonucleotide-induced immune response by NFkappaB luciferas...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM50605
PNG
(2,3-Dichloro-5,8-dimethoxy-[1,4]naphthoquinone | 2...)
Show SMILES COc1ccc(OC)c2C(=O)C(Cl)=C(Cl)C(=O)c12
Show InChI InChI=1S/C12H8Cl2O4/c1-17-5-3-4-6(18-2)8-7(5)11(15)9(13)10(14)12(8)16/h3-4H,1-2H3
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n/an/a 2.62E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM80746
PNG
(2-chloranyl-3-phenoxy-naphthalene-1,4-dione | 2-ch...)
Show SMILES ClC1=C(Oc2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9ClO3/c17-13-14(18)11-8-4-5-9-12(11)15(19)16(13)20-10-6-2-1-3-7-10/h1-9H
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n/an/a 2.63E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM83283
PNG
(MLS002920361 | N-(3-chloro-1,4-diketo-2-naphthyl)-...)
Show SMILES COc1ccccc1N(C(C)=O)C1=C(Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H14ClNO4/c1-11(22)21(14-9-5-6-10-15(14)25-2)17-16(20)18(23)12-7-3-4-8-13(12)19(17)24/h3-10H,1-2H3
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n/an/a 2.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM54818
PNG
((7-chloro-4-nitro-benzofurazan-5-yl)-methyl-amine ...)
Show SMILES CNc1cc(Cl)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C7H5ClN4O3/c1-9-4-2-3(8)5-6(11-15-10-5)7(4)12(13)14/h2,9H,1H3
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n/an/a 2.95E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM83235
PNG
(MLS001006760 | N-[1-(1-benzofuran-2-yl)ethylidenea...)
Show SMILES CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1cc2ccccc2o1
Show InChI InChI=1S/C16H13N3O3/c1-11(16-10-12-4-2-3-5-15(12)22-16)17-18-13-6-8-14(9-7-13)19(20)21/h2-11H,1H3
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n/an/a 3.01E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM50071058
PNG
((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O
Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
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n/an/a 3.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM83217
PNG
(4-[4-(6,8-dibromo-2-quinolinyl)phenyl]morpholine |...)
Show SMILES Brc1cc(Br)c2nc(ccc2c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C19H16Br2N2O/c20-15-11-14-3-6-18(22-19(14)17(21)12-15)13-1-4-16(5-2-13)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2
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n/an/a 3.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM83272
PNG
(2,4,7-tribromo-1-cyclohepta-2,4,6-trienone | 2,4,7...)
Show SMILES Brc1ccc(Br)c(=O)c(Br)c1
Show InChI InChI=1S/C7H3Br3O/c8-4-1-2-5(9)7(11)6(10)3-4/h1-3H
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n/an/a 3.12E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM29681
PNG
(2-[(1,2,3,4-tetrafluoro-9-acridinyl)amino]ethanol ...)
Show SMILES OCCNc1c2ccccc2nc2c(F)c(F)c(F)c(F)c12
Show InChI InChI=1S/C15H10F4N2O/c16-10-9-14(20-5-6-22)7-3-1-2-4-8(7)21-15(9)13(19)12(18)11(10)17/h1-4,22H,5-6H2,(H,20,21)
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n/an/a 3.12E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM83267
PNG
(6-(4-benzylpiperidin-1-yl)-9,10,10-trioxo-N-[[3-(t...)
Show SMILES FC(F)(F)c1cccc(CNC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C34H29F3N2O4S/c35-34(36,37)25-9-4-8-24(19-25)21-38-33(41)28-10-5-11-29-31(28)32(40)27-13-12-26(20-30(27)44(29,42)43)39-16-14-23(15-17-39)18-22-6-2-1-3-7-22/h1-13,19-20,23H,14-18,21H2,(H,38,41)
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n/an/a 3.21E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM67266
PNG
(4-chloranyl-1-ethyl-3-nitro-quinolin-2-one | 4-chl...)
Show SMILES CCn1c2ccccc2c(Cl)c([N+]([O-])=O)c1=O
Show InChI InChI=1S/C11H9ClN2O3/c1-2-13-8-6-4-3-5-7(8)9(12)10(11(13)15)14(16)17/h3-6H,2H2,1H3
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n/an/a 3.22E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM83227
PNG
((3E)-3-(2-thenylidene)-1,2-dihydrocyclopenta[b]qui...)
Show SMILES CCCCNC(=O)COC(=O)c1c2CC\C(=C/c3cccs3)c2nc2ccccc12
Show InChI InChI=1S/C24H24N2O3S/c1-2-3-12-25-21(27)15-29-24(28)22-18-8-4-5-9-20(18)26-23-16(10-11-19(22)23)14-17-7-6-13-30-17/h4-9,13-14H,2-3,10-12,15H2,1H3,(H,25,27)/b16-14+
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n/an/a 3.28E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM31372
PNG
(3-(2-furanyl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihyd...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1
Show InChI InChI=1S/C19H15N3O3/c23-22(24)16-10-8-14(9-11-16)17-13-18(19-7-4-12-25-19)21(20-17)15-5-2-1-3-6-15/h1-12,18H,13H2
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n/an/a 3.34E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM68118
PNG
(4-chloranyl-3-(piperidin-1-ylmethyl)chromen-2-one ...)
Show SMILES Clc1c(CN2CCCCC2)c(=O)oc2ccccc12
Show InChI InChI=1S/C15H16ClNO2/c16-14-11-6-2-3-7-13(11)19-15(18)12(14)10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


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Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM83263
PNG
(MLS001065937 | N-butyl-2-(4-cyclohexylsulfanylphen...)
Show SMILES CCCCNc1c(nc2cnccn12)-c1ccc(SC2CCCCC2)cc1
Show InChI InChI=1S/C22H28N4S/c1-2-3-13-24-22-21(25-20-16-23-14-15-26(20)22)17-9-11-19(12-10-17)27-18-7-5-4-6-8-18/h9-12,14-16,18,24H,2-8,13H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


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More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM79817
PNG
(7-(diethylamino)-3-(1-methyl-2-benzimidazolyl)-1-b...)
Show SMILES CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
Show InChI InChI=1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3
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n/an/a 3.38E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


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More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM83221
PNG
(3-(1-Methyl-1H-benzoimidazol-2-yl)-1-phenyl-1H-pyr...)
Show SMILES Cn1c(nc2ccccc12)-c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C24H18N6/c1-29-19-14-8-7-13-18(19)28-23(29)20-21-24(27-17-12-6-5-11-16(17)26-21)30(22(20)25)15-9-3-2-4-10-15/h2-14H,25H2,1H3
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n/an/a 3.46E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


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More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM63144
PNG
(3-amino-6-phenyl-2-thieno[2,3-b]pyridinecarboxylic...)
Show SMILES CC(C)OC(=O)c1sc2nc(ccc2c1N)-c1ccccc1
Show InChI InChI=1S/C17H16N2O2S/c1-10(2)21-17(20)15-14(18)12-8-9-13(19-16(12)22-15)11-6-4-3-5-7-11/h3-10H,18H2,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


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More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM33119
PNG
(2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,...)
Show SMILES CCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C15H16N6O5S/c1-3-11(22)25-7-5-16-9-8-10(27-15-17-4-6-20(15)2)12-13(19-26-18-12)14(9)21(23)24/h4,6,8,16H,3,5,7H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


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More data for this
Ligand-Target Pair
toll-like receptor 9


(Homo sapiens)
BDBM50600
PNG
(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Show SMILES CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H18ClNO3/c1-11(21)20(12-7-3-2-4-8-12)16-15(19)17(22)13-9-5-6-10-14(13)18(16)23/h5-6,9-10,12H,2-4,7-8H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


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Ligand-Target Pair
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