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Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'renia' and Initial = 'l'   
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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant adenosine 3 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant adrenergic beta2 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant vasopressin V1a receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant serotonin transporter


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant serotonin 5HT3 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant serotonin 5HT2C receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant serotonin 5-HT2B receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant serotonin 5-HT2A receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant serotonin 5-HT1A receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PDE4D


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant opiate mu receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant opiate kappa receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant norepinephrine transporter


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant niacin receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant neurotensin NT1 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant neuropeptide Y2 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant neuropeptide Y1 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant neurokinin NK1 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant muscarinic M3 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant muscarinic M2 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant muscarinic M1 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant motilin receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant MAOM


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant histamine H3 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant histamine H2 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant histamine H1 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant dopamine transporter


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant opiate delta receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant alpha2b receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant adrenergic beta-1 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant alpha 1a receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant alpha-2a receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant alpha2c receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant cannabinoid 1 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant dopamine D1 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant dopamine D2 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant dopamine D3 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant thromboxane A2 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant vasopressin V2 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 2


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CRF2alpha receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CRF1 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant COX2


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant cholecystokinin B receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant cholecystokinin A receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucagon receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant bradykinin B2 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant bradykinin B1 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant angiotensin2 AT1 receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50318666
PNG
((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...)
Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Swiss Tropical and Public Health Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant androgen receptor


Science 329: 1175-80 (2010)


Article DOI: 10.1126/science.1193225
BindingDB Entry DOI: 10.7270/Q2SB45ZB
More data for this
Ligand-Target Pair
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