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Compile Data Set for Download or QSAR

Found 627 hits with Last Name = 'tafi' and Initial = 'a'   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50200169
PNG
(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
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0.0400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
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0.0400n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50122243
PNG
(4-Chloro-5-[4-(furan-2-carbonyl)-piperazin-1-yl]-2...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C33H45ClN6O4/c1-26(2)44-29-12-7-6-11-27(29)37-18-16-36(17-19-37)14-8-4-3-5-9-15-40-33(42)31(34)28(25-35-40)38-20-22-39(23-21-38)32(41)30-13-10-24-43-30/h6-7,10-13,24-26H,3-5,8-9,14-23H2,1-2H3
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0.0520n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]prazosin


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21301
PNG
(7-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1cccc2c(cn(CC3CCOCC3)c12)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)17-14-24(13-15-9-11-27-12-10-15)19-16(17)7-6-8-18(19)26-5/h6-8,14-15,21H,9-13H2,1-5H3
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0.100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190441
PNG
(1-(8-ethyl-2-furan-2-yl-8,9b-dihydro-3H-pyrazolo[4...)
Show SMILES CCn1cc2C3NC(=NN3C(NC(=O)Nc3ccc(C)cc3)=Nc2n1)c1ccco1
Show InChI InChI=1S/C20H20N8O2/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-13-8-6-12(2)7-9-13)28-18(14)22-17(26-28)15-5-4-10-30-15/h4-11,18H,3H2,1-2H3,(H,22,26)(H2,21,23,24,25,29)
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0.140n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109481
PNG
(1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O2/c1-2-10-27-12-14-16(25-27)23-19(24-20(29)21-13-7-4-3-5-8-13)28-18(14)22-17(26-28)15-9-6-11-30-15/h3-9,11-12H,2,10H2,1H3,(H2,21,23,24,25,29)
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0.150n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109461
PNG
(1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27)
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0.160n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50122242
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC)c(=O)c1Cl
Show InChI InChI=1S/C36H51ClN6O4/c1-3-46-33-15-9-10-16-34(33)47-28-27-40-21-25-42(26-22-40)31-29-38-43(36(44)35(31)37)18-12-6-4-5-11-17-39-19-23-41(24-20-39)30-13-7-8-14-32(30)45-2/h7-10,13-16,29H,3-6,11-12,17-28H2,1-2H3
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0.160n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor receptor in rat cerebral cortex using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50003019
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
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0.190n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


Article DOI: 10.1021/jm0209580
BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094691
PNG
(1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-7-12(29-2)8-6-11)27-17(13)21-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)
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0.200n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21291
PNG
(6-methyl-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...)
Show SMILES Cc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C23H31NO2/c1-15-6-7-17-18(20(25)21-22(2,3)23(21,4)5)14-24(19(17)12-15)13-16-8-10-26-11-9-16/h6-7,12,14,16,21H,8-11,13H2,1-5H3
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0.200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50130624
PNG
((6aR,10aR)-3-(2-hexyl-1,3-dioxolan-2-yl)-6,6,9-tri...)
Show SMILES CCCCCCC1(OCCO1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O4/c1-5-6-7-8-11-25(27-12-13-28-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)29-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213605
PNG
((6aR,10aR)-3-(2-cycloheptylpropan-2-yl)-6,6,9-trim...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCCCC1
Show InChI InChI=1S/C26H38O2/c1-17-12-13-21-20(14-17)24-22(27)15-19(16-23(24)28-26(21,4)5)25(2,3)18-10-8-6-7-9-11-18/h12,15-16,18,20-21,27H,6-11,13-14H2,1-5H3/t20-,21-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50122238
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OCC)c(=O)c1Cl
Show InChI InChI=1S/C37H53ClN6O4/c1-3-46-33-15-9-8-14-31(33)42-24-20-40(21-25-42)18-12-6-5-7-13-19-44-37(45)36(38)32(30-39-44)43-26-22-41(23-27-43)28-29-48-35-17-11-10-16-34(35)47-4-2/h8-11,14-17,30H,3-7,12-13,18-29H2,1-2H3
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0.220n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor receptor in rat cerebral cortex using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.240n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]prazosin


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50122239
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC(C)C)c(=O)c1Cl
Show InChI InChI=1S/C38H55ClN6O4/c1-4-47-35-16-10-11-17-36(35)48-29-28-42-22-26-44(27-23-42)33-30-40-45(38(46)37(33)39)19-13-7-5-6-12-18-41-20-24-43(25-21-41)32-14-8-9-15-34(32)49-31(2)3/h8-11,14-17,30-31H,4-7,12-13,18-29H2,1-3H3
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0.260n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]prazosin


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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0.290n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109480
PNG
(1-(2-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyr...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15ClN8O2/c1-2-27-10-11-15(25-27)23-18(24-19(29)21-13-7-4-3-6-12(13)20)28-17(11)22-16(26-28)14-8-5-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)
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0.300n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420890
PNG
(CHEMBL2087099)
Show SMILES CCCCCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-9-31-18-24(23-14-22(7-8-25(23)31)26-6-5-10-34-26)27(32)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
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0.370n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
BindingDB Entry DOI: 10.7270/Q2K64KCF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094690
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-py...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-5-2-4-10(19)8-11)27-16(12)21-15(25-27)13-6-3-7-29-13/h2-9H,1H3,(H2,20,22,23,24,28)
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0.400n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21334
PNG
(1-(oxan-4-ylmethyl)-6-phenyl-3-[(2,2,3,3-tetrameth...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)-c2ccccc2)C1(C)C
Show InChI InChI=1S/C28H33NO2/c1-27(2)26(28(27,3)4)25(30)23-18-29(17-19-12-14-31-15-13-19)24-16-21(10-11-22(23)24)20-8-6-5-7-9-20/h5-11,16,18-19,26H,12-15,17H2,1-4H3
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0.400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50122238
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OCC)c(=O)c1Cl
Show InChI InChI=1S/C37H53ClN6O4/c1-3-46-33-15-9-8-14-31(33)42-24-20-40(21-25-42)18-12-6-5-7-13-19-44-37(45)36(38)32(30-39-44)43-26-22-41(23-27-43)28-29-48-35-17-11-10-16-34(35)47-4-2/h8-11,14-17,30H,3-7,12-13,18-29H2,1-2H3
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0.430n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]prazosin


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.460n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


Article DOI: 10.1021/jm0209580
BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120441
PNG
(1-[2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl...)
Show SMILES OCC[C@@H]1CCCCN1C(=O)C=CC1=CC=CN2N=C(CC12)c1ccccc1
Show InChI InChI=1S/C23H27N3O2/c27-16-13-20-10-4-5-14-25(20)23(28)12-11-19-9-6-15-26-22(19)17-21(24-26)18-7-2-1-3-8-18/h1-3,6-9,11-12,15,20,22,27H,4-5,10,13-14,16-17H2/t20-,22?/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


Article DOI: 10.1021/jm0209580
BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50130624
PNG
((6aR,10aR)-3-(2-hexyl-1,3-dioxolan-2-yl)-6,6,9-tri...)
Show SMILES CCCCCCC1(OCCO1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O4/c1-5-6-7-8-11-25(27-12-13-28-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)29-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50222045
PNG
(CHEMBL45726)
Show SMILES CCOc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C32H43ClN6O4/c1-2-42-28-12-7-6-11-26(28)36-18-16-35(17-19-36)14-8-4-3-5-9-15-39-32(41)30(33)27(25-34-39)37-20-22-38(23-21-37)31(40)29-13-10-24-43-29/h6-7,10-13,24-25H,2-5,8-9,14-23H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]prazosin


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50122242
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC)c(=O)c1Cl
Show InChI InChI=1S/C36H51ClN6O4/c1-3-46-33-15-9-10-16-34(33)47-28-27-40-21-25-42(26-22-40)31-29-38-43(36(44)35(31)37)18-12-6-4-5-11-17-39-19-23-41(24-20-39)30-13-7-8-14-32(30)45-2/h7-10,13-16,29H,3-6,11-12,17-28H2,1-2H3
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0.550n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]prazosin


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50122243
PNG
(4-Chloro-5-[4-(furan-2-carbonyl)-piperazin-1-yl]-2...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C33H45ClN6O4/c1-26(2)44-29-12-7-6-11-27(29)37-18-16-36(17-19-37)14-8-4-3-5-9-15-40-33(42)31(34)28(25-35-40)38-20-22-39(23-21-38)32(41)30-13-10-24-43-30/h6-7,10-13,24-26H,3-5,8-9,14-23H2,1-2H3
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0.560n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin using vitronectin ELISA assay.


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190454
PNG
(1-(8-ethyl-2-furan-2-yl-8,9b-dihydro-3H-pyrazolo[4...)
Show SMILES CCn1cc2C3NC(=NN3C(NC(=O)Nc3ccccc3OC)=Nc2n1)c1ccco1
Show InChI InChI=1S/C20H20N8O3/c1-3-27-11-12-16(25-27)23-19(24-20(29)21-13-7-4-5-8-14(13)30-2)28-18(12)22-17(26-28)15-9-6-10-31-15/h4-11,18H,3H2,1-2H3,(H,22,26)(H2,21,23,24,25,29)
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0.560n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50222044
PNG
(CHEMBL300092)
Show SMILES CCOc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CCOc4ccccc4OC)CC3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C36H51ClN6O4/c1-3-46-32-14-8-7-13-30(32)41-23-19-39(20-24-41)17-11-5-4-6-12-18-43-36(44)35(37)31(29-38-43)42-25-21-40(22-26-42)27-28-47-34-16-10-9-15-33(34)45-2/h7-10,13-16,29H,3-6,11-12,17-28H2,1-2H3
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0.580n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]prazosin


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082418
PNG
(1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.600n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50335950
PNG
((2-methyl-1-pentyl-1H-indol-3-yl)(4,6,7-trimethyl-...)
Show SMILES CCCCCn1c(C)c(C(=O)c2ccc(CCC)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C28H31NO/c1-4-6-11-19-29-20(3)27(25-15-9-10-16-26(25)29)28(30)24-18-17-21(12-5-2)22-13-7-8-14-23(22)24/h7-10,13-18H,4-6,11-12,19H2,1-3H3
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0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50326618
PNG
(CHEMBL1254015 | [11C]-3-(2-methoxyethyl)-4,5-dimet...)
Show SMILES COCCn1c(C)c(C)sc1=NC(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3
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0.640n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053929
PNG
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
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0.650n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109471
PNG
(1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N9O4/c1-2-26-10-13-15(24-26)22-18(27-17(13)21-16(25-27)14-4-3-9-32-14)23-19(29)20-11-5-7-12(8-6-11)28(30)31/h3-10H,2H2,1H3,(H2,20,22,23,24,29)
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0.650n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324634
PNG
(CHEMBL1215942 | N-(Adamantan-1-yl)-6-(furan-2-yl)-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-9-31-18-24(27(32)23-14-22(7-8-25(23)31)26-6-5-10-34-26)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
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0.700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324634
PNG
(CHEMBL1215942 | N-(Adamantan-1-yl)-6-(furan-2-yl)-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-9-31-18-24(27(32)23-14-22(7-8-25(23)31)26-6-5-10-34-26)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
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0.700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
BindingDB Entry DOI: 10.7270/Q2K64KCF
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21307
PNG
(6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1cc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2cc1O
Show InChI InChI=1S/C23H31NO4/c1-22(2)21(23(22,3)4)20(26)16-13-24(12-14-6-8-28-9-7-14)17-11-19(27-5)18(25)10-15(16)17/h10-11,13-14,21,25H,6-9,12H2,1-5H3
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0.700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50122243
PNG
(4-Chloro-5-[4-(furan-2-carbonyl)-piperazin-1-yl]-2...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C33H45ClN6O4/c1-26(2)44-29-12-7-6-11-27(29)37-18-16-36(17-19-37)14-8-4-3-5-9-15-40-33(42)31(34)28(25-35-40)38-20-22-39(23-21-38)32(41)30-13-10-24-43-30/h6-7,10-13,24-26H,3-5,8-9,14-23H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor receptor in rat cerebral cortex using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170132
PNG
(1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
Show InChI InChI=1S/C18H19N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,19,20)
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0.800n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50122239
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC(C)C)c(=O)c1Cl
Show InChI InChI=1S/C38H55ClN6O4/c1-4-47-35-16-10-11-17-36(35)48-29-28-42-22-26-44(27-23-42)33-30-40-45(38(46)37(33)39)19-13-7-5-6-12-18-41-20-24-43(25-21-41)32-14-8-9-15-34(32)49-31(2)3/h8-11,14-17,30-31H,4-7,12-13,18-29H2,1-3H3
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0.820n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebral cortex


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190446
PNG
(1-(8-ethyl-2-furan-2-yl-8,9b-dihydro-3H-pyrazolo[4...)
Show SMILES CCn1cc2C3NC(=NN3C(NC(=O)Nc3ccc(F)cc3)=Nc2n1)c1ccco1
Show InChI InChI=1S/C19H17FN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-7-5-11(20)6-8-12)28-17(13)22-16(26-28)14-4-3-9-30-14/h3-10,17H,2H2,1H3,(H,22,26)(H2,21,23,24,25,29)
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0.860n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50063884
PNG
((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21304
PNG
(6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C
Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)24-18-30(17-20-12-14-32-15-13-20)25-16-22(10-11-23(24)25)33-19-21-8-6-5-7-9-21/h5-11,16,18,20,27H,12-15,17,19H2,1-4H3
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0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244360
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-(thiophen-2-yl)pro...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccs1
Show InChI InChI=1S/C23H28O2S/c1-14-8-9-17-16(11-14)21-18(24)12-15(13-19(21)25-23(17,4)5)22(2,3)20-7-6-10-26-20/h6-8,10,12-13,16-17,24H,9,11H2,1-5H3/t16-,17-/m1/s1
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0.910n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213605
PNG
((6aR,10aR)-3-(2-cycloheptylpropan-2-yl)-6,6,9-trim...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCCCC1
Show InChI InChI=1S/C26H38O2/c1-17-12-13-21-20(14-17)24-22(27)15-19(16-23(24)28-26(21,4)5)25(2,3)18-10-8-6-7-9-11-18/h12,15-16,18,20-21,27H,6-11,13-14H2,1-5H3/t20-,21-/m1/s1
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0.940n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50063884
PNG
((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50133547
PNG
((6aR,10aR)-3-(2-Cyclohexyl-[1,3]dithiolan-2-yl)-6,...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)C1CCCCC1
Show InChI InChI=1S/C25H34O2S2/c1-16-9-10-20-19(13-16)23-21(26)14-18(15-22(23)27-24(20,2)3)25(28-11-12-29-25)17-7-5-4-6-8-17/h9,14-15,17,19-20,26H,4-8,10-13H2,1-3H3/t19-,20-/m1/s1
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PubMed
1.05n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
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