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PubMed code 28671847

Compile data set for download or QSAR
Found 70 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249644
PNG
(CHEMBL4073895)
Show SMILES Nc1nc(NCc2cc(on2)C2CC2)c2n(Cc3ccccn3)ccc2n1
Show InChI InChI=1S/C19H19N7O/c20-19-23-15-6-8-26(11-13-3-1-2-7-21-13)17(15)18(24-19)22-10-14-9-16(27-25-14)12-4-5-12/h1-3,6-9,12H,4-5,10-11H2,(H3,20,22,23,24)
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n/an/a 200n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249650
PNG
(CHEMBL4088372)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4ccc(cn4)C(F)(F)F)c23)no1
Show InChI InChI=1S/C18H16F3N7O/c1-10-6-13(27-29-10)8-24-16-15-14(25-17(22)26-16)4-5-28(15)9-12-3-2-11(7-23-12)18(19,20)21/h2-7H,8-9H2,1H3,(H3,22,24,25,26)
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n/an/a 500n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249651
PNG
(CHEMBL4098533)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4cc(Cl)ccn4)c23)no1
Show InChI InChI=1S/C17H16ClN7O/c1-10-6-12(24-26-10)8-21-16-15-14(22-17(19)23-16)3-5-25(15)9-13-7-11(18)2-4-20-13/h2-7H,8-9H2,1H3,(H3,19,21,22,23)
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n/an/a 500n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50249723
PNG
(CHEMBL4070546)
Show SMILES Cc1cnc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)o1
Show InChI InChI=1S/C17H17N7O/c1-11-8-20-14(25-11)9-21-16-15-13(22-17(18)23-16)5-7-24(15)10-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H3,18,21,22,23)
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n/an/a 650n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of 5-HT2A receptor (unknown origin)

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249645
PNG
(CHEMBL4078859)
Show SMILES COc1ccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c23)nc1OC
Show InChI InChI=1S/C19H21N7O3/c1-11-8-13(25-29-11)9-21-17-16-14(23-19(20)24-17)6-7-26(16)10-12-4-5-15(27-2)18(22-12)28-3/h4-8H,9-10H2,1-3H3,(H3,20,21,23,24)
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n/an/a 700n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249731
PNG
(CHEMBL4080513)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4ncccc4Cl)c23)no1
Show InChI InChI=1S/C17H16ClN7O/c1-10-7-11(24-26-10)8-21-16-15-13(22-17(19)23-16)4-6-25(15)9-14-12(18)3-2-5-20-14/h2-7H,8-9H2,1H3,(H3,19,21,22,23)
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n/an/a 900n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249699
PNG
(CHEMBL4094458)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Show InChI InChI=1S/C17H17N7O/c1-11-8-13(23-25-11)9-20-16-15-14(21-17(18)22-16)5-7-24(15)10-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H3,18,20,21,22)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249624
PNG
(CHEMBL4095178)
Show SMILES COc1cccnc1Cn1ccc2nc(N)nc(NCc3cc(C)on3)c12
Show InChI InChI=1S/C18H19N7O2/c1-11-8-12(24-27-11)9-21-17-16-13(22-18(19)23-17)5-7-25(16)10-14-15(26-2)4-3-6-20-14/h3-8H,9-10H2,1-2H3,(H3,19,21,22,23)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249728
PNG
(CHEMBL4072841)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4ccc(F)cn4)c23)no1
Show InChI InChI=1S/C17H16FN7O/c1-10-6-13(24-26-10)8-21-16-15-14(22-17(19)23-16)4-5-25(15)9-12-3-2-11(18)7-20-12/h2-7H,8-9H2,1H3,(H3,19,21,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249647
PNG
(CHEMBL4099725)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4ncccc4F)c23)no1
Show InChI InChI=1S/C17H16FN7O/c1-10-7-11(24-26-10)8-21-16-15-13(22-17(19)23-16)4-6-25(15)9-14-12(18)3-2-5-20-14/h2-7H,8-9H2,1H3,(H3,19,21,22,23)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249623
PNG
(CHEMBL4074704)
Show SMILES COc1cccnc1Cn1ccc2nc(N)nc(OCc3ncc(C)o3)c12
Show InChI InChI=1S/C18H18N6O3/c1-11-8-21-15(27-11)10-26-17-16-12(22-18(19)23-17)5-7-24(16)9-13-14(25-2)4-3-6-20-13/h3-8H,9-10H2,1-2H3,(H2,19,22,23)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50249664
PNG
(CHEMBL4065786)
Show SMILES Cc1coc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)n1
Show InChI InChI=1S/C17H17N7O/c1-11-10-25-14(21-11)8-20-16-15-13(22-17(18)23-16)5-7-24(15)9-12-4-2-3-6-19-12/h2-7,10H,8-9H2,1H3,(H3,18,20,22,23)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of 5-HT2A receptor (unknown origin)

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249646
PNG
(CHEMBL4103135)
Show SMILES COc1cccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c23)n1
Show InChI InChI=1S/C18H19N7O2/c1-11-8-13(24-27-11)9-20-17-16-14(22-18(19)23-17)6-7-25(16)10-12-4-3-5-15(21-12)26-2/h3-8H,9-10H2,1-2H3,(H3,19,20,22,23)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50249699
PNG
(CHEMBL4094458)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Show InChI InChI=1S/C17H17N7O/c1-11-8-13(23-25-11)9-20-16-15-14(21-17(18)22-16)5-7-24(15)10-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H3,18,20,21,22)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of 5-HT2A receptor (unknown origin)

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50249652
PNG
(CHEMBL4103847)
Show SMILES Cc1cc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Show InChI InChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS analysis

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50249652
PNG
(CHEMBL4103847)
Show SMILES Cc1cc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Show InChI InChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes after 10 mins by LC/MS analysis

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50249652
PNG
(CHEMBL4103847)
Show SMILES Cc1cc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Show InChI InChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS analysis

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50249652
PNG
(CHEMBL4103847)
Show SMILES Cc1cc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Show InChI InChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes after 10 mins by LC/MS analysis

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50249652
PNG
(CHEMBL4103847)
Show SMILES Cc1cc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Show InChI InChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS analysis

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249744
PNG
(CHEMBL4096097)
Show SMILES Cc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)s1
Show InChI InChI=1S/C17H16N6OS/c1-11-8-20-14(25-11)10-24-16-15-13(21-17(18)22-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,21,22)
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n/an/a 4.47E+4n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249653
PNG
(CHEMBL4079597)
Show SMILES Cc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)o1
Show InChI InChI=1S/C17H16N6O2/c1-11-8-20-14(25-11)10-24-16-15-13(21-17(18)22-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249652
PNG
(CHEMBL4103847)
Show SMILES Cc1cc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Show InChI InChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50249654
PNG
(CHEMBL4068797)
Show SMILES Cc1nc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Show InChI InChI=1S/C16H15N7O2/c1-10-19-13(22-25-10)9-24-15-14-12(20-16(17)21-15)5-7-23(14)8-11-4-2-3-6-18-11/h2-7H,8-9H2,1H3,(H2,17,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249729
PNG
(CHEMBL4060138)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4cc(ccn4)C(F)(F)F)c23)no1
Show InChI InChI=1S/C18H16F3N7O/c1-10-6-12(27-29-10)8-24-16-15-14(25-17(22)26-16)3-5-28(15)9-13-7-11(2-4-23-13)18(19,20)21/h2-7H,8-9H2,1H3,(H3,22,24,25,26)
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n/an/an/an/a 20n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249664
PNG
(CHEMBL4065786)
Show SMILES Cc1coc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)n1
Show InChI InChI=1S/C17H17N7O/c1-11-10-25-14(21-11)8-20-16-15-13(22-17(18)23-16)5-7-24(15)9-12-4-2-3-6-19-12/h2-7,10H,8-9H2,1H3,(H3,18,20,22,23)
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n/an/an/an/a 150n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249703
PNG
(CHEMBL4079841)
Show SMILES CCCCNc1nc(N)nc2ccn(Cc3ccsc3)c12
Show InChI InChI=1S/C15H19N5S/c1-2-3-6-17-14-13-12(18-15(16)19-14)4-7-20(13)9-11-5-8-21-10-11/h4-5,7-8,10H,2-3,6,9H2,1H3,(H3,16,17,18,19)
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n/an/an/an/a 30n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249715
PNG
(CHEMBL4080468)
Show SMILES CCCCNc1nc(N)nc2ccn(Cc3ncc(C)c(OC)c3C)c12
Show InChI InChI=1S/C19H26N6O/c1-5-6-8-21-18-16-14(23-19(20)24-18)7-9-25(16)11-15-13(3)17(26-4)12(2)10-22-15/h7,9-10H,5-6,8,11H2,1-4H3,(H3,20,21,23,24)
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n/an/an/an/a 140n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249718
PNG
(CHEMBL4071587)
Show SMILES CCOCCNc1nc(N)nc2ccn(Cc3ccccn3)c12
Show InChI InChI=1S/C16H20N6O/c1-2-23-10-8-19-15-14-13(20-16(17)21-15)6-9-22(14)11-12-5-3-4-7-18-12/h3-7,9H,2,8,10-11H2,1H3,(H3,17,19,20,21)
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n/an/an/an/a 500n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249644
PNG
(CHEMBL4073895)
Show SMILES Nc1nc(NCc2cc(on2)C2CC2)c2n(Cc3ccccn3)ccc2n1
Show InChI InChI=1S/C19H19N7O/c20-19-23-15-6-8-26(11-13-3-1-2-7-21-13)17(15)18(24-19)22-10-14-9-16(27-25-14)12-4-5-12/h1-3,6-9,12H,4-5,10-11H2,(H3,20,22,23,24)
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n/an/an/an/a 8n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249652
PNG
(CHEMBL4103847)
Show SMILES Cc1cc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Show InChI InChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21)
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n/an/an/an/a 61n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249699
PNG
(CHEMBL4094458)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Show InChI InChI=1S/C17H17N7O/c1-11-8-13(23-25-11)9-20-16-15-14(21-17(18)22-16)5-7-24(15)10-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H3,18,20,21,22)
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n/an/an/an/a 6n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249701
PNG
(CHEMBL4085732)
Show SMILES CCCCNc1nc(N)nc2ccn(CCCc3ccccc3)c12
Show InChI InChI=1S/C19H25N5/c1-2-3-12-21-18-17-16(22-19(20)23-18)11-14-24(17)13-7-10-15-8-5-4-6-9-15/h4-6,8-9,11,14H,2-3,7,10,12-13H2,1H3,(H3,20,21,22,23)
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n/an/an/an/a 60n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249709
PNG
(CHEMBL4075398)
Show SMILES CCCCNc1nc(N)nc2ccn(Cc3cccnc3)c12
Show InChI InChI=1S/C16H20N6/c1-2-3-8-19-15-14-13(20-16(17)21-15)6-9-22(14)11-12-5-4-7-18-10-12/h4-7,9-10H,2-3,8,11H2,1H3,(H3,17,19,20,21)
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n/an/an/an/a 260n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249710
PNG
(CHEMBL4091156)
Show SMILES CCCCNc1nc(N)nc2ccn(Cc3ccncc3)c12
Show InChI InChI=1S/C16H20N6/c1-2-3-7-19-15-14-13(20-16(17)21-15)6-10-22(14)11-12-4-8-18-9-5-12/h4-6,8-10H,2-3,7,11H2,1H3,(H3,17,19,20,21)
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n/an/an/an/a 750n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249714
PNG
(CHEMBL4063409)
Show SMILES CCCCNc1nc(N)nc2ccn(Cc3ccc4ccccc4n3)c12
Show InChI InChI=1S/C20H22N6/c1-2-3-11-22-19-18-17(24-20(21)25-19)10-12-26(18)13-15-9-8-14-6-4-5-7-16(14)23-15/h4-10,12H,2-3,11,13H2,1H3,(H3,21,22,24,25)
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n/an/an/an/a 280n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249717
PNG
(CHEMBL4075504)
Show SMILES COCCCNc1nc(N)nc2ccn(Cc3ccccn3)c12
Show InChI InChI=1S/C16H20N6O/c1-23-10-4-8-19-15-14-13(20-16(17)21-15)6-9-22(14)11-12-5-2-3-7-18-12/h2-3,5-7,9H,4,8,10-11H2,1H3,(H3,17,19,20,21)
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n/an/an/an/a 500n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249720
PNG
(CHEMBL4100122)
Show SMILES CC(Nc1nc(N)nc2ccn(Cc3ccccn3)c12)c1ccccn1
Show InChI InChI=1S/C19H19N7/c1-13(15-7-3-5-10-22-15)23-18-17-16(24-19(20)25-18)8-11-26(17)12-14-6-2-4-9-21-14/h2-11,13H,12H2,1H3,(H3,20,23,24,25)
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n/an/an/an/a 40n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249724
PNG
(CHEMBL4103525)
Show SMILES Nc1nc(NCc2nccs2)c2n(Cc3ccccn3)ccc2n1
Show InChI InChI=1S/C16H15N7S/c17-16-21-12-4-7-23(10-11-3-1-2-5-18-11)14(12)15(22-16)20-9-13-19-6-8-24-13/h1-8H,9-10H2,(H3,17,20,21,22)
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n/an/an/an/a 560n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249725
PNG
(CHEMBL4086717)
Show SMILES Cc1cnc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)s1
Show InChI InChI=1S/C17H17N7S/c1-11-8-20-14(25-11)9-21-16-15-13(22-17(18)23-16)5-7-24(15)10-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H3,18,21,22,23)
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n/an/an/an/a 9n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249726
PNG
(CHEMBL4065280)
Show SMILES Nc1nc(NCc2ccon2)c2n(Cc3ccccn3)ccc2n1
Show InChI InChI=1S/C16H15N7O/c17-16-20-13-4-7-23(10-12-3-1-2-6-18-12)14(13)15(21-16)19-9-11-5-8-24-22-11/h1-8H,9-10H2,(H3,17,19,20,21)
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n/an/an/an/a 420n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249727
PNG
(CHEMBL4067994)
Show SMILES CC(C)c1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Show InChI InChI=1S/C19H21N7O/c1-12(2)16-9-14(25-27-16)10-22-18-17-15(23-19(20)24-18)6-8-26(17)11-13-5-3-4-7-21-13/h3-9,12H,10-11H2,1-2H3,(H3,20,22,23,24)
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n/an/an/an/a 20n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249731
PNG
(CHEMBL4080513)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4ncccc4Cl)c23)no1
Show InChI InChI=1S/C17H16ClN7O/c1-10-7-11(24-26-10)8-21-16-15-13(22-17(19)23-16)4-6-25(15)9-14-12(18)3-2-5-20-14/h2-7H,8-9H2,1H3,(H3,19,21,22,23)
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n/an/an/an/a 40n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249734
PNG
(CHEMBL4088330)
Show SMILES CCCCNc1nc(N)nc2ccn(Cc3cccc(C)n3)c12
Show InChI InChI=1S/C17H22N6/c1-3-4-9-19-16-15-14(21-17(18)22-16)8-10-23(15)11-13-7-5-6-12(2)20-13/h5-8,10H,3-4,9,11H2,1-2H3,(H3,18,19,21,22)
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n/an/an/an/a<10n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249728
PNG
(CHEMBL4072841)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4ccc(F)cn4)c23)no1
Show InChI InChI=1S/C17H16FN7O/c1-10-6-13(24-26-10)8-21-16-15-14(22-17(19)23-16)4-5-25(15)9-12-3-2-11(18)7-20-12/h2-7H,8-9H2,1H3,(H3,19,21,22,23)
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n/an/an/an/a 9n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249742
PNG
(CHEMBL4095403)
Show SMILES Cc1nc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)cs1
Show InChI InChI=1S/C17H17N7S/c1-11-21-13(10-25-11)8-20-16-15-14(22-17(18)23-16)5-7-24(15)9-12-4-2-3-6-19-12/h2-7,10H,8-9H2,1H3,(H3,18,20,22,23)
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n/an/an/an/a 2.20E+3n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249624
PNG
(CHEMBL4095178)
Show SMILES COc1cccnc1Cn1ccc2nc(N)nc(NCc3cc(C)on3)c12
Show InChI InChI=1S/C18H19N7O2/c1-11-8-12(24-27-11)9-21-17-16-13(22-18(19)23-17)5-7-25(16)10-14-15(26-2)4-3-6-20-14/h3-8H,9-10H2,1-2H3,(H3,19,21,22,23)
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n/an/an/an/a 6n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249721
PNG
(CHEMBL4061921)
Show SMILES Cc1nnc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)o1
Show InChI InChI=1S/C16H16N8O/c1-10-22-23-13(25-10)8-19-15-14-12(20-16(17)21-15)5-7-24(14)9-11-4-2-3-6-18-11/h2-7H,8-9H2,1H3,(H3,17,19,20,21)
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n/an/an/an/a 90n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249653
PNG
(CHEMBL4079597)
Show SMILES Cc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)o1
Show InChI InChI=1S/C17H16N6O2/c1-11-8-20-14(25-11)10-24-16-15-13(21-17(18)22-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,21,22)
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n/an/an/an/a 100n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249735
PNG
(CHEMBL4104700)
Show SMILES CCCCNc1nc(N)nc2ccn(Cc3ncccc3OC)c12
Show InChI InChI=1S/C17H22N6O/c1-3-4-8-20-16-15-12(21-17(18)22-16)7-10-23(15)11-13-14(24-2)6-5-9-19-13/h5-7,9-10H,3-4,8,11H2,1-2H3,(H3,18,20,21,22)
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n/an/an/an/a<10n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249651
PNG
(CHEMBL4098533)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4cc(Cl)ccn4)c23)no1
Show InChI InChI=1S/C17H16ClN7O/c1-10-6-12(24-26-10)8-21-16-15-14(22-17(19)23-16)3-5-25(15)9-13-7-11(18)2-4-20-13/h2-7H,8-9H2,1H3,(H3,19,21,22,23)
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n/an/an/an/a 20n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249723
PNG
(CHEMBL4070546)
Show SMILES Cc1cnc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)o1
Show InChI InChI=1S/C17H17N7O/c1-11-8-20-14(25-11)9-21-16-15-13(22-17(18)23-16)5-7-24(15)10-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H3,18,21,22,23)
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n/an/an/an/a 6n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249700
PNG
(CHEMBL4075866)
Show SMILES CCCCNc1nc(N)nc2ccn(CCOc3ccccc3)c12
Show InChI InChI=1S/C18H23N5O/c1-2-3-10-20-17-16-15(21-18(19)22-17)9-11-23(16)12-13-24-14-7-5-4-6-8-14/h4-9,11H,2-3,10,12-13H2,1H3,(H3,19,20,21,22)
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n/an/an/an/a 60n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249702
PNG
(CHEMBL4077873)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#7]-c1nc(-[#7])nc2ccn(-[#6]\[#6]=[#6](\[#6])-[#6])c12
Show InChI InChI=1S/C15H23N5/c1-4-5-8-17-14-13-12(18-15(16)19-14)7-10-20(13)9-6-11(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H3,16,17,18,19)
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n/an/an/an/a 220n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249708
PNG
(CHEMBL4096964)
Show SMILES CCCCNc1nc(N)nc2ccn(Cc3ccccn3)c12
Show InChI InChI=1S/C16H20N6/c1-2-3-8-19-15-14-13(20-16(17)21-15)7-10-22(14)11-12-6-4-5-9-18-12/h4-7,9-10H,2-3,8,11H2,1H3,(H3,17,19,20,21)
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n/an/an/an/a 60n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249650
PNG
(CHEMBL4088372)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4ccc(cn4)C(F)(F)F)c23)no1
Show InChI InChI=1S/C18H16F3N7O/c1-10-6-13(27-29-10)8-24-16-15-14(25-17(22)26-16)4-5-28(15)9-12-3-2-11(7-23-12)18(19,20)21/h2-7H,8-9H2,1H3,(H3,22,24,25,26)
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n/an/an/an/a 30n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249732
PNG
(CHEMBL4102127)
Show SMILES CCCCNc1nc(N)nc2ccn(CC(=O)NC)c12
Show InChI InChI=1S/C13H20N6O/c1-3-4-6-16-12-11-9(17-13(14)18-12)5-7-19(11)8-10(20)15-2/h5,7H,3-4,6,8H2,1-2H3,(H,15,20)(H3,14,16,17,18)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249733
PNG
(CHEMBL4069769)
Show SMILES CCCCNc1nc(N)nc2ccn(Cc3cn4ccccc4n3)c12
Show InChI InChI=1S/C18H21N7/c1-2-3-8-20-17-16-14(22-18(19)23-17)7-10-25(16)12-13-11-24-9-5-4-6-15(24)21-13/h4-7,9-11H,2-3,8,12H2,1H3,(H3,19,20,22,23)
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n/an/an/an/a 40n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249743
PNG
(CHEMBL4095383)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)on1
Show InChI InChI=1S/C17H17N7O/c1-11-8-13(25-23-11)9-20-16-15-14(21-17(18)22-16)5-7-24(15)10-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H3,18,20,21,22)
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n/an/an/an/a 130n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249744
PNG
(CHEMBL4096097)
Show SMILES Cc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)s1
Show InChI InChI=1S/C17H16N6OS/c1-11-8-20-14(25-11)10-24-16-15-13(21-17(18)22-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,21,22)
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n/an/an/an/a 99n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249750
PNG
(CHEMBL4072020)
Show SMILES CCCCNc1nc(N)nc2ccn(Cc3ccccc3)c12
Show InChI InChI=1S/C17H21N5/c1-2-3-10-19-16-15-14(20-17(18)21-16)9-11-22(15)12-13-7-5-4-6-8-13/h4-9,11H,2-3,10,12H2,1H3,(H3,18,19,20,21)
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n/an/an/an/a 100n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249707
PNG
(CHEMBL4066900)
Show SMILES CCCCNc1nc(N)nc2ccn(Cc3nccs3)c12
Show InChI InChI=1S/C14H18N6S/c1-2-3-5-17-13-12-10(18-14(15)19-13)4-7-20(12)9-11-16-6-8-21-11/h4,6-8H,2-3,5,9H2,1H3,(H3,15,17,18,19)
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n/an/an/an/a 130n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249716
PNG
(CHEMBL4101498)
Show SMILES COCCNc1nc(N)nc2ccn(Cc3ccccn3)c12
Show InChI InChI=1S/C15H18N6O/c1-22-9-7-18-14-13-12(19-15(16)20-14)5-8-21(13)10-11-4-2-3-6-17-11/h2-6,8H,7,9-10H2,1H3,(H3,16,18,19,20)
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n/an/an/an/a 2.20E+3n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249645
PNG
(CHEMBL4078859)
Show SMILES COc1ccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c23)nc1OC
Show InChI InChI=1S/C19H21N7O3/c1-11-8-13(25-29-11)9-21-17-16-14(23-19(20)24-17)6-7-26(16)10-12-4-5-15(27-2)18(22-12)28-3/h4-8H,9-10H2,1-3H3,(H3,20,21,23,24)
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n/an/an/an/a 0.600n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249654
PNG
(CHEMBL4068797)
Show SMILES Cc1nc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Show InChI InChI=1S/C16H15N7O2/c1-10-19-13(22-25-10)9-24-15-14-12(20-16(17)21-15)5-7-23(14)8-11-4-2-3-6-18-11/h2-7H,8-9H2,1H3,(H2,17,20,21)
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n/an/an/an/a 1.96E+3n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249741
PNG
(CHEMBL4092365)
Show SMILES CCC(O)CNc1nc(N)nc2ccn(Cc3ccccn3)c12
Show InChI InChI=1S/C16H20N6O/c1-2-12(23)9-19-15-14-13(20-16(17)21-15)6-8-22(14)10-11-5-3-4-7-18-11/h3-8,12,23H,2,9-10H2,1H3,(H3,17,19,20,21)
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n/an/an/an/a 50n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249646
PNG
(CHEMBL4103135)
Show SMILES COc1cccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c23)n1
Show InChI InChI=1S/C18H19N7O2/c1-11-8-13(24-27-11)9-20-17-16-14(22-18(19)23-17)6-7-25(16)10-12-4-3-5-15(21-12)26-2/h3-8H,9-10H2,1-2H3,(H3,19,20,22,23)
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n/an/an/an/a 1n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249722
PNG
(CHEMBL4097707)
Show SMILES Nc1nc(NCc2ncco2)c2n(Cc3ccccn3)ccc2n1
Show InChI InChI=1S/C16H15N7O/c17-16-21-12-4-7-23(10-11-3-1-2-5-18-11)14(12)15(22-16)20-9-13-19-6-8-24-13/h1-8H,9-10H2,(H3,17,20,21,22)
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n/an/an/an/a 130n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249719
PNG
(CHEMBL4082112)
Show SMILES Cc1ccc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)nc1
Show InChI InChI=1S/C19H19N7/c1-13-5-6-14(22-10-13)11-23-18-17-16(24-19(20)25-18)7-9-26(17)12-15-4-2-3-8-21-15/h2-10H,11-12H2,1H3,(H3,20,23,24,25)
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n/an/an/an/a 70n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249623
PNG
(CHEMBL4074704)
Show SMILES COc1cccnc1Cn1ccc2nc(N)nc(OCc3ncc(C)o3)c12
Show InChI InChI=1S/C18H18N6O3/c1-11-8-21-15(27-11)10-26-17-16-12(22-18(19)23-17)5-7-24(16)9-13-14(25-2)4-3-6-20-13/h3-8H,9-10H2,1-2H3,(H2,19,22,23)
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n/an/an/an/a 6n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50249647
PNG
(CHEMBL4099725)
Show SMILES Cc1cc(CNc2nc(N)nc3ccn(Cc4ncccc4F)c23)no1
Show InChI InChI=1S/C17H16FN7O/c1-10-7-11(24-26-10)8-21-16-15-13(22-17(19)23-16)4-6-25(15)9-14-12(18)3-2-5-20-14/h2-7H,8-9H2,1H3,(H3,19,21,22,23)
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n/an/an/an/a 9n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...

J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%