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Compile Data Set for Download or QSAR

Found 868 hits with Last Name = 'shah' and Initial = 'u'   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50081110
PNG
(Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yl...)
Show SMILES FC(F)(F)c1nc2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)16-22-13-7-4-8-14(15(13)23-16)24-10-9-21-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,22,23)
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 0.180n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-spiperone binding to rat striatal membrane Dopamine receptor D2 low affinity without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50081108
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3OS/c21-16-18-13-7-4-8-14(15(13)19-16)20-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,21)
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 0.180n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50081112
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES O=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3O2/c20-16-18-13-7-4-8-14(15(13)19-16)21-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,20)
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 0.180n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-spiperone binding to rat striatal membrane Dopamine receptor D2 low affinity without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50077578
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-indol-2-one |...)
Show SMILES O=C1Cc2c(N1)cccc2OCCNCc1ccccc1
Show InChI InChI=1S/C17H18N2O2/c20-17-11-14-15(19-17)7-4-8-16(14)21-10-9-18-12-13-5-2-1-3-6-13/h1-8,18H,9-12H2,(H,19,20)
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 0.210n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50081107
PNG
(4-(2-Benzylamino-ethoxy)-6-chloro-1,3-dihydro-benz...)
Show SMILES Clc1cc(OCCNCc2ccccc2)c2[nH]c(=S)[nH]c2c1
Show InChI InChI=1S/C16H16ClN3OS/c17-12-8-13-15(20-16(22)19-13)14(9-12)21-7-6-18-10-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H2,19,20,22)
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 0.210n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50081106
PNG
(4-(2-Benzylamino-ethoxy)-6-chloro-1,3-dihydro-benz...)
Show SMILES Clc1cc(OCCNCc2ccccc2)c2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C16H16ClN3O2/c17-12-8-13-15(20-16(21)19-13)14(9-12)22-7-6-18-10-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H2,19,20,21)
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 0.25n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50252010
PNG
(2-Furan-2-yl-7-[2-(4'-methoxy-biphenyl-4-yl)-ethyl...)
Show SMILES COc1ccc(cc1)-c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C25H21N7O2/c1-33-19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-13-31-23-20(15-27-31)24-28-22(21-3-2-14-34-21)30-32(24)25(26)29-23/h2-11,14-15H,12-13H2,1H3,(H2,26,29)
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 0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4199-203 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.074
BindingDB Entry DOI: 10.7270/Q2X34X89
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50252063
PNG
(2-Furan-2-yl-7-{2-[4-(6-methyl-pyridin-3-yl)-pheny...)
Show SMILES Cc1ccc(cn1)-c1ccc(CCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
Show InChI InChI=1S/C24H20N8O/c1-15-4-7-18(13-26-15)17-8-5-16(6-9-17)10-11-31-22-19(14-27-31)23-28-21(20-3-2-12-33-20)30-32(23)24(25)29-22/h2-9,12-14H,10-11H2,1H3,(H2,25,29)
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 0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4199-203 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.074
BindingDB Entry DOI: 10.7270/Q2X34X89
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274186
PNG
((+)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES NC(=O)c1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H28FN3O2/c26-17-9-10-23-21(12-17)16(14-28-23)4-3-11-29(18-5-1-6-18)19-13-22-20(25(27)30)7-2-8-24(22)31-15-19/h2,7-10,12,14,18-19,28H,1,3-6,11,13,15H2,(H2,27,30)
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 0.660n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50243660
PNG
(2-Furan-2-yl-7-[2-(7-nitro-1,2,4,5-tetrahydro-benz...)
Show SMILES Nc1nc2n(CCN3CCc4ccc(cc4CC3)[N+]([O-])=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H21N9O3/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-11-34-18)13-24-29(20)10-9-28-7-5-14-3-4-16(31(32)33)12-15(14)6-8-28/h1-4,11-13H,5-10H2,(H2,23,26)
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 0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4204-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50081105
PNG
(Benzyl-[2-(6-chloro-2-trifluoromethyl-1H-benzoimid...)
Show SMILES FC(F)(F)c1nc2c(OCCNCc3ccccc3)cc(Cl)cc2[nH]1
Show InChI InChI=1S/C17H15ClF3N3O/c18-12-8-13-15(24-16(23-13)17(19,20)21)14(9-12)25-7-6-22-10-11-4-2-1-3-5-11/h1-5,8-9,22H,6-7,10H2,(H,23,24)
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 0.710n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274782
PNG
(8-Fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)propyl](pro...)
Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(=O)NC)c2C1
Show InChI InChI=1S/C25H29F2N3O2/c1-3-10-30(11-4-5-16-14-29-23-9-6-17(26)12-20(16)23)18-13-21-19(25(31)28-2)7-8-22(27)24(21)32-15-18/h6-9,12,14,18,29H,3-5,10-11,13,15H2,1-2H3,(H,28,31)
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 0.810n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50252110
PNG
(2-Furan-2-yl-7-[2-(4-pyrazin-2-yl-phenyl)-ethyl]-7...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)-c3cnccn3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H17N9O/c23-22-28-20-16(21-27-19(29-31(21)22)18-2-1-11-32-18)12-26-30(20)10-7-14-3-5-15(6-4-14)17-13-24-8-9-25-17/h1-6,8-9,11-13H,7,10H2,(H2,23,28)
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 0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4199-203 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.074
BindingDB Entry DOI: 10.7270/Q2X34X89
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274784
PNG
(3-{[3-(5-Fluoro-1H-indol-3-yl)propyl](propyl)amino...)
Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2cccc(C(N)=O)c2C1 |r|
Show InChI InChI=1S/C24H28FN3O2/c1-2-10-28(11-4-5-16-14-27-22-9-8-17(25)12-20(16)22)18-13-21-19(24(26)29)6-3-7-23(21)30-15-18/h3,6-9,12,14,18,27H,2,4-5,10-11,13,15H2,1H3,(H2,26,29)/t18-/m1/s1
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 0.930n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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 0.960n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50243661
PNG
(7-[2-(7-Bromo-1,2,4,5-tetrahydro-benzo[d]azepin-3-...)
Show SMILES Nc1nc2n(CCN3CCc4ccc(Br)cc4CC3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H21BrN8O/c23-16-4-3-14-5-7-29(8-6-15(14)12-16)9-10-30-20-17(13-25-30)21-26-19(18-2-1-11-32-18)28-31(21)22(24)27-20/h1-4,11-13H,5-10H2,(H2,24,27)
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 1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4204-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50081109
PNG
(Benzyl-[2-(1H-indazol-4-yloxy)-ethyl]-amine | CHEM...)
Show SMILES C(COc1cccc2[nH]ncc12)NCc1ccccc1
Show InChI InChI=1S/C16H17N3O/c1-2-5-13(6-3-1)11-17-9-10-20-16-8-4-7-15-14(16)12-18-19-15/h1-8,12,17H,9-11H2,(H,18,19)
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 1.10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50252009
PNG
(7-(2-Biphenyl-4-yl-ethyl)-2-furan-2-yl-7H-pyrazolo...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)-c3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C24H19N7O/c25-24-28-22-19(23-27-21(29-31(23)24)20-7-4-14-32-20)15-26-30(22)13-12-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-11,14-15H,12-13H2,(H2,25,28)
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 1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4199-203 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.074
BindingDB Entry DOI: 10.7270/Q2X34X89
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274487
PNG
(3-{Cyclobutyl[3-(5-methoxy-1H-indol-3-yl)propyl]am...)
Show SMILES COc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(N)=O)c4C3)c2c1
Show InChI InChI=1S/C26H30FN3O3/c1-32-19-7-10-24-21(13-19)16(14-29-24)4-3-11-30(17-5-2-6-17)18-12-22-20(26(28)31)8-9-23(27)25(22)33-15-18/h7-10,13-14,17-18,29H,2-6,11-12,15H2,1H3,(H2,28,31)
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 1.19n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50191615
PNG
((3R)-(-)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)p...)
Show SMILES NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
Show InChI InChI=1S/C25H27F2N3O2/c26-16-6-9-23-20(11-16)15(13-29-23)3-2-10-30(17-4-1-5-17)18-12-21-19(25(28)31)7-8-22(27)24(21)32-14-18/h6-9,11,13,17-18,29H,1-5,10,12,14H2,(H2,28,31)/t18-/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50081110
PNG
(Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yl...)
Show SMILES FC(F)(F)c1nc2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)16-22-13-7-4-8-14(15(13)23-16)24-10-9-21-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,22,23)
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 1.20n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to human Dopamine receptor D3 in CHO cell membranes

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50252210
PNG
(2-Furan-2-yl-7-{2-[2-(1-morpholin-4-yl-ethyl)-quin...)
Show SMILES CC(N1CCOCC1)c1ccc2cc(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)ccc2n1
Show InChI InChI=1S/C27H27N9O2/c1-17(34-10-13-37-14-11-34)21-7-5-19-15-18(4-6-22(19)30-21)8-9-35-25-20(16-29-35)26-31-24(23-3-2-12-38-23)33-36(26)27(28)32-25/h2-7,12,15-17H,8-11,13-14H2,1H3,(H2,28,32)
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 1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4199-203 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.074
BindingDB Entry DOI: 10.7270/Q2X34X89
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274224
PNG
((3R)-(-)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)p...)
Show SMILES CNC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
Show InChI InChI=1S/C26H29F2N3O2/c1-29-26(32)20-8-9-23(28)25-22(20)13-19(15-33-25)31(18-5-2-6-18)11-3-4-16-14-30-24-10-7-17(27)12-21(16)24/h7-10,12,14,18-19,30H,2-6,11,13,15H2,1H3,(H,29,32)/t19-/m1/s1
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 1.32n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50243027
PNG
(2-Furan-2-yl-7-{2-[8-(2-methoxy-ethoxy)-3,4-dihydr...)
Show SMILES COCCOc1cccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc12
Show InChI InChI=1S/C24H26N8O3/c1-33-12-13-35-19-5-2-4-16-7-8-30(15-18(16)19)9-10-31-22-17(14-26-31)23-27-21(20-6-3-11-34-20)29-32(23)24(25)28-22/h2-6,11,14H,7-10,12-13,15H2,1H3,(H2,25,28)
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 1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4204-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50252061
PNG
(2-Furan-2-yl-7-[2-(4-pyridin-3-yl-phenyl)-ethyl]-7...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)-c3cccnc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C23H18N8O/c24-23-28-21-18(22-27-20(29-31(22)23)19-4-2-12-32-19)14-26-30(21)11-9-15-5-7-16(8-6-15)17-3-1-10-25-13-17/h1-8,10,12-14H,9,11H2,(H2,24,28)
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 1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4199-203 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.074
BindingDB Entry DOI: 10.7270/Q2X34X89
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50191615
PNG
((3R)-(-)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)p...)
Show SMILES NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
Show InChI InChI=1S/C25H27F2N3O2/c26-16-6-9-23-20(11-16)15(13-29-23)3-2-10-30(17-4-1-5-17)18-12-21-19(25(28)31)7-8-22(27)24(21)32-14-18/h6-9,11,13,17-18,29H,1-5,10,12,14H2,(H2,28,31)/t18-/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50191619
PNG
((3R)-(-)-8-Fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)pr...)
Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1 |r|
Show InChI InChI=1S/C24H27F2N3O2/c1-2-9-29(10-3-4-15-13-28-22-8-5-16(25)11-19(15)22)17-12-20-18(24(27)30)6-7-21(26)23(20)31-14-17/h5-8,11,13,17,28H,2-4,9-10,12,14H2,1H3,(H2,27,30)/t17-/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50252165
PNG
(2-Furan-2-yl-7-(2-{2-[1-(2-methoxy-ethoxy)-ethyl]-...)
Show SMILES COCCOC(C)c1ccc2cc(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)ccc2n1
Show InChI InChI=1S/C26H26N8O3/c1-16(36-13-12-35-2)20-8-6-18-14-17(5-7-21(18)29-20)9-10-33-24-19(15-28-33)25-30-23(22-4-3-11-37-22)32-34(25)26(27)31-24/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H2,27,31)
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 1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4199-203 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.074
BindingDB Entry DOI: 10.7270/Q2X34X89
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50252209
PNG
(CHEMBL482138 | {6-[2-(5-Amino-2-furan-2-yl-pyrazol...)
Show SMILES Nc1nc2n(CCc3ccc4nc(ccc4c3)C(=O)N3CCOCC3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C26H23N9O3/c27-26-31-23-18(24-30-22(32-35(24)26)21-2-1-11-38-21)15-28-34(23)8-7-16-3-5-19-17(14-16)4-6-20(29-19)25(36)33-9-12-37-13-10-33/h1-6,11,14-15H,7-10,12-13H2,(H2,27,31)
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 1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4199-203 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.074
BindingDB Entry DOI: 10.7270/Q2X34X89
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50242875
PNG
(7-[2-(3-Bromo-7,8-dihydro-5H-[1,6]naphthyridin-6-y...)
Show SMILES Nc1nc2n(CCN3CCc4ncc(Br)cc4C3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H18BrN9O/c21-13-8-12-11-28(4-3-15(12)23-9-13)5-6-29-18-14(10-24-29)19-25-17(16-2-1-7-31-16)27-30(19)20(22)26-18/h1-2,7-10H,3-6,11H2,(H2,22,26)
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 1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4204-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274528
PNG
((+)-3-{Cyclobutyl[3-(5,7-difluoro-1H-indol-3-yl)pr...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2c(F)cc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H26F3N3O2/c26-15-9-19-14(12-30-23(19)22(28)10-15)3-2-8-31(16-4-1-5-16)17-11-20-18(25(29)32)6-7-21(27)24(20)33-13-17/h6-7,9-10,12,16-17,30H,1-5,8,11,13H2,(H2,29,32)
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 1.73n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274528
PNG
((+)-3-{Cyclobutyl[3-(5,7-difluoro-1H-indol-3-yl)pr...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2c(F)cc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H26F3N3O2/c26-15-9-19-14(12-30-23(19)22(28)10-15)3-2-8-31(16-4-1-5-16)17-11-20-18(25(29)32)6-7-21(27)24(20)33-13-17/h6-7,9-10,12,16-17,30H,1-5,8,11,13H2,(H2,29,32)
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 1.73n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274186
PNG
((+)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES NC(=O)c1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H28FN3O2/c26-17-9-10-23-21(12-17)16(14-28-23)4-3-11-29(18-5-1-6-18)19-13-22-20(25(27)30)7-2-8-24(22)31-15-19/h2,7-10,12,14,18-19,28H,1,3-6,11,13,15H2,(H2,27,30)
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 1.75n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274186
PNG
((+)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES NC(=O)c1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H28FN3O2/c26-17-9-10-23-21(12-17)16(14-28-23)4-3-11-29(18-5-1-6-18)19-13-22-20(25(27)30)7-2-8-24(22)31-15-19/h2,7-10,12,14,18-19,28H,1,3-6,11,13,15H2,(H2,27,30)
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 1.75n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50252211
PNG
(2-Furan-2-yl-7-[2-(2-morpholin-4-yl-quinolin-6-yl)...)
Show SMILES Nc1nc2n(CCc3ccc4nc(ccc4c3)N3CCOCC3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C25H23N9O2/c26-25-30-23-18(24-29-22(31-34(24)25)20-2-1-11-36-20)15-27-33(23)8-7-16-3-5-19-17(14-16)4-6-21(28-19)32-9-12-35-13-10-32/h1-6,11,14-15H,7-10,12-13H2,(H2,26,30)
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 1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4199-203 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.074
BindingDB Entry DOI: 10.7270/Q2X34X89
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50081110
PNG
(Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yl...)
Show SMILES FC(F)(F)c1nc2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)16-22-13-7-4-8-14(15(13)23-16)24-10-9-21-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,22,23)
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 1.80n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inihibition of [3H]-spiperone binding to human Dopamine receptor D2 in CHO cell membranes

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274414
PNG
((+)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-...)
Show SMILES CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C26H29F2N3O2/c1-15(2-5-17-12-30-24-9-6-18(27)10-21(17)24)31(13-16-3-4-16)19-11-22-20(26(29)32)7-8-23(28)25(22)33-14-19/h6-10,12,15-16,19,30H,2-5,11,13-14H2,1H3,(H2,29,32)
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 1.88n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274414
PNG
((+)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-...)
Show SMILES CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C26H29F2N3O2/c1-15(2-5-17-12-30-24-9-6-18(27)10-21(17)24)31(13-16-3-4-16)19-11-22-20(26(29)32)7-8-23(28)25(22)33-14-19/h6-10,12,15-16,19,30H,2-5,11,13-14H2,1H3,(H2,29,32)
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 1.88n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50081110
PNG
(Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yl...)
Show SMILES FC(F)(F)c1nc2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)16-22-13-7-4-8-14(15(13)23-16)24-10-9-21-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,22,23)
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 1.90n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-spiperone binding to rat striatal membrane Dopamine receptor D2 low affinity without GTP and sodium

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50242874
PNG
(7-[2-(3-Cyclopropyl-7,8-dihydro-5H-[1,6]naphthyrid...)
Show SMILES Nc1nc2n(CCN3CCc4ncc(cc4C3)C3CC3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C23H23N9O/c24-23-28-21-17(22-27-20(29-32(22)23)19-2-1-9-33-19)12-26-31(21)8-7-30-6-5-18-16(13-30)10-15(11-25-18)14-3-4-14/h1-2,9-12,14H,3-8,13H2,(H2,24,28)
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 1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4204-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50243696
PNG
(2-Furan-2-yl-7-[2-(7-methoxy-1,2,4,5-tetrahydro-be...)
Show SMILES COc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CCc2c1
Show InChI InChI=1S/C23H24N8O2/c1-32-17-5-4-15-6-8-29(9-7-16(15)13-17)10-11-30-21-18(14-25-30)22-26-20(19-3-2-12-33-19)28-31(22)23(24)27-21/h2-5,12-14H,6-11H2,1H3,(H2,24,27)
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 1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4204-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50252062
PNG
(2-Furan-2-yl-7-{2-[4-(6-methoxy-pyridin-3-yl)-phen...)
Show SMILES COc1ccc(cn1)-c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C24H20N8O2/c1-33-20-9-8-17(13-26-20)16-6-4-15(5-7-16)10-11-31-22-18(14-27-31)23-28-21(19-3-2-12-34-19)30-32(23)24(25)29-22/h2-9,12-14H,10-11H2,1H3,(H2,25,29)
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 1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4199-203 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.074
BindingDB Entry DOI: 10.7270/Q2X34X89
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50243025
PNG
(7-[2-(6,7-Dimethoxy-3-methyl-3,4-dihydro-1H-isoqui...)
Show SMILES COc1cc2CC(C)N(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2cc1OC
Show InChI InChI=1S/C24H26N8O3/c1-14-9-15-10-19(33-2)20(34-3)11-16(15)13-30(14)6-7-31-22-17(12-26-31)23-27-21(18-5-4-8-35-18)29-32(23)24(25)28-22/h4-5,8,10-12,14H,6-7,9,13H2,1-3H3,(H2,25,28)
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 1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4204-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274413
PNG
((+)-3-[[3-(5-Cyano-1H-indol-3-yl)propyl](cyclobuty...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(cc12)C#N)C1CCC1
Show InChI InChI=1S/C26H27FN4O2/c27-23-8-7-20(26(29)32)22-12-19(15-33-25(22)23)31(18-4-1-5-18)10-2-3-17-14-30-24-9-6-16(13-28)11-21(17)24/h6-9,11,14,18-19,30H,1-5,10,12,15H2,(H2,29,32)
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 1.98n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274413
PNG
((+)-3-[[3-(5-Cyano-1H-indol-3-yl)propyl](cyclobuty...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(cc12)C#N)C1CCC1
Show InChI InChI=1S/C26H27FN4O2/c27-23-8-7-20(26(29)32)22-12-19(15-33-25(22)23)31(18-4-1-5-18)10-2-3-17-14-30-24-9-6-16(13-28)11-21(17)24/h6-9,11,14,18-19,30H,1-5,10,12,15H2,(H2,29,32)
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 1.98n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50243697
PNG
(2-Furan-2-yl-7-{2-[7-(2-methoxy-ethoxy)-1,2,4,5-te...)
Show SMILES COCCOc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CCc2c1
Show InChI InChI=1S/C25H28N8O3/c1-34-13-14-35-19-5-4-17-6-8-31(9-7-18(17)15-19)10-11-32-23-20(16-27-32)24-28-22(21-3-2-12-36-21)30-33(24)25(26)29-23/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,26,29)
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 2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4204-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50081108
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3OS/c21-16-18-13-7-4-8-14(15(13)19-16)20-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,21)
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 2n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to human Dopamine receptor D3 in CHO cell membranes

Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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 2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4204-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50242873
PNG
(2-Furan-2-yl-7-[2-(3-methyl-7,8-dihydro-5H-[1,6]na...)
Show SMILES Cc1cnc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1
Show InChI InChI=1S/C21H21N9O/c1-13-9-14-12-28(5-4-16(14)23-10-13)6-7-29-19-15(11-24-29)20-25-18(17-3-2-8-31-17)27-30(20)21(22)26-19/h2-3,8-11H,4-7,12H2,1H3,(H2,22,26)
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 2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4204-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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 2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor

Bioorg Med Chem Lett 18: 4199-203 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.074
BindingDB Entry DOI: 10.7270/Q2X34X89
More data for this
Ligand-Target Pair
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