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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'lee' and Initial = 'mc'   
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
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007538
PNG
(8-(2-Azetidin-1-yl-ethyl)-3-chloro-6-methyl-7,8-di...)
Show SMILES CN1C[C@@H](CCN2CCC2)Oc2ncc(Cl)cc2C1=S
Show InChI InChI=1S/C14H18ClN3OS/c1-17-9-11(3-6-18-4-2-5-18)19-13-12(14(17)20)7-10(15)8-16-13/h7-8,11H,2-6,9H2,1H3/t11-/m1/s1
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n/an/a 0.260n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the histamine receptor in guinea pig cortex


J Med Chem 34: 1314-28 (1991)


BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007542
PNG
(3-Chloro-8-(2-dimethylamino-ethyl)-6-methyl-7,8-di...)
Show SMILES CN(C)CC[C@@H]1CN(C)C(=S)c2cc(Cl)cnc2O1
Show InChI InChI=1S/C13H18ClN3OS/c1-16(2)5-4-10-8-17(3)13(19)11-6-9(14)7-15-12(11)18-10/h6-7,10H,4-5,8H2,1-3H3/t10-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the histamine receptor in guinea pig cortex


J Med Chem 34: 1314-28 (1991)


BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM35938
PNG
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)
Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
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n/an/a 8.80n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the Histamine H1 receptor in guinea pig cortex


J Med Chem 34: 1314-28 (1991)


BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007536
PNG
(CHEMBL24517 | [3-(5-Chloro-pyridin-2-yl)-3-pyridin...)
Show SMILES CN(C)CCC(c1ccccn1)c1ccc(Cl)cn1
Show InChI InChI=1S/C15H18ClN3/c1-19(2)10-8-13(14-5-3-4-9-17-14)15-7-6-12(16)11-18-15/h3-7,9,11,13H,8,10H2,1-2H3
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n/an/a 24n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the Histamine H1 receptor in guinea pig cortex


J Med Chem 34: 1314-28 (1991)


BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007539
PNG
(8-(2-Dimethylamino-ethyl)-6-methyl-7,8-dihydro-6H-...)
Show SMILES CN(C)CC[C@@H]1CN(C)C(=S)c2cccnc2O1
Show InChI InChI=1S/C13H19N3OS/c1-15(2)8-6-10-9-16(3)13(18)11-5-4-7-14-12(11)17-10/h4-5,7,10H,6,8-9H2,1-3H3/t10-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the histamine receptor in guinea pig cortex


J Med Chem 34: 1314-28 (1991)


BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50225112
PNG
(43-715 | Arthrex | PROQUAZONE | Proquazone)
Show SMILES CC(C)n1c2cc(C)ccc2c(nc1=O)-c1ccccc1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1317-21 (1984)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50225110
PNG
(AMFENAC | Amfenac | CHEBI:75915)
Show SMILES Nc1c(CC(O)=O)cccc1C(=O)c1ccccc1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1317-21 (1984)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007540
PNG
(CHEMBL279907 | [3-(4-Chloro-phenyl)-3-(5-chloro-py...)
Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccc(Cl)cn1
Show InChI InChI=1S/C16H18Cl2N2/c1-20(2)10-9-15(12-3-5-13(17)6-4-12)16-8-7-14(18)11-19-16/h3-8,11,15H,9-10H2,1-2H3
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n/an/a 430n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the Histamine H1 receptor in guinea pig cortex


J Med Chem 34: 1314-28 (1991)


BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007535
PNG
(8-(2-Azetidin-1-yl-ethyl)-3-chloro-6-methyl-7,8-di...)
Show SMILES CN1C[C@H](CCN2CCC2)Oc2ncc(Cl)cc2C1=S
Show InChI InChI=1S/C14H18ClN3OS/c1-17-9-11(3-6-18-4-2-5-18)19-13-12(14(17)20)7-10(15)8-16-13/h7-8,11H,2-6,9H2,1H3/t11-/m0/s1
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n/an/a 870n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the Histamine H1 receptor in guinea pig cortex


J Med Chem 34: 1314-28 (1991)


BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antiparasitic activity of the compound against thiamine transporter of Eimeria tenella


J Med Chem 27: 1317-21 (1984)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50099957
PNG
(CHEMBL3321871)
Show SMILES CN1CCN(CC1)c1ccc2nc(Nc3ccc(Br)cn3)[nH]c2c1
Show InChI InChI=1S/C17H19BrN6/c1-23-6-8-24(9-7-23)13-3-4-14-15(10-13)21-17(20-14)22-16-5-2-12(18)11-19-16/h2-5,10-11H,6-9H2,1H3,(H2,19,20,21,22)
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n/an/a 3.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 57: 6642-52 (2014)


Article DOI: 10.1021/jm500715u
BindingDB Entry DOI: 10.7270/Q2377BG1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50100083
PNG
(CHEMBL3321972)
Show SMILES CN1CCC(CC1)c1ccc2nc(Nc3ccc(cn3)C(F)(F)F)[nH]c2c1
Show InChI InChI=1S/C19H20F3N5/c1-27-8-6-12(7-9-27)13-2-4-15-16(10-13)25-18(24-15)26-17-5-3-14(11-23-17)19(20,21)22/h2-5,10-12H,6-9H2,1H3,(H2,23,24,25,26)
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n/an/a 4.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 57: 6642-52 (2014)


Article DOI: 10.1021/jm500715u
BindingDB Entry DOI: 10.7270/Q2377BG1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50100015
PNG
(CHEMBL3321968)
Show SMILES CN1CCN(CC1)c1cc(Cl)c2nc(Nc3ccc(Br)cn3)[nH]c2c1
Show InChI InChI=1S/C17H18BrClN6/c1-24-4-6-25(7-5-24)12-8-13(19)16-14(9-12)21-17(23-16)22-15-3-2-11(18)10-20-15/h2-3,8-10H,4-7H2,1H3,(H2,20,21,22,23)
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n/an/a 7.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 57: 6642-52 (2014)


Article DOI: 10.1021/jm500715u
BindingDB Entry DOI: 10.7270/Q2377BG1
More data for this
Ligand-Target Pair
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50100085
PNG
(CHEMBL3321980)
Show SMILES CN1CCN(CC1)c1cc2[nH]c(Nc3cc(C4CC4)c(F)c(C)n3)nc2cn1
Show InChI InChI=1S/C20H24FN7/c1-12-19(21)14(13-3-4-13)9-17(23-12)26-20-24-15-10-18(22-11-16(15)25-20)28-7-5-27(2)6-8-28/h9-11,13H,3-8H2,1-2H3,(H2,23,24,25,26)
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n/an/a 8.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 57: 6642-52 (2014)


Article DOI: 10.1021/jm500715u
BindingDB Entry DOI: 10.7270/Q2377BG1
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
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
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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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 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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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 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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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 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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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 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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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 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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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 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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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 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
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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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 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
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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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 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
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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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 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 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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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 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
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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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 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
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
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
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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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 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
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
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
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
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
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
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
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
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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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
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
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
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 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
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
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