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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50016461   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169328
PNG
(5-{4-[3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-...)
Show SMILES COCCOc1ccc(cc1C#N)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
Show InChI InChI=1S/C30H30N8O3/c1-39-14-15-41-26-8-7-24(17-23(26)19-31)37-11-9-36(10-12-37)20-21-4-2-5-22(16-21)25-18-28-34-29(27-6-3-13-40-27)35-38(28)30(32)33-25/h2-8,13,16-18H,9-12,14-15,20H2,1H3,(H2,32,33)
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1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169314
PNG
(2-Furan-2-yl-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1ccccn1
Show InChI InChI=1S/C14H10N6O/c15-14-17-10(9-4-1-2-6-16-9)8-12-18-13(19-20(12)14)11-5-3-7-21-11/h1-8H,(H2,15,17)
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1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169318
PNG
(2-Furan-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1ccncc1
Show InChI InChI=1S/C14H10N6O/c15-14-17-10(9-3-5-16-6-4-9)8-12-18-13(19-20(12)14)11-2-1-7-21-11/h1-8H,(H2,15,17)
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169326
PNG
(7-(3-{4-[3,5-Difluoro-4-(2-methoxy-ethoxy)-phenyl]...)
Show SMILES COCCOc1c(F)cc(cc1F)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
Show InChI InChI=1S/C29H29F2N7O3/c1-39-12-13-41-27-22(30)15-21(16-23(27)31)37-9-7-36(8-10-37)18-19-4-2-5-20(14-19)24-17-26-34-28(25-6-3-11-40-25)35-38(26)29(32)33-24/h2-6,11,14-17H,7-10,12-13,18H2,1H3,(H2,32,33)
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2.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169313
PNG
(2-Furan-2-yl-7-[3-(4-thiazol-2-yl-piperazin-1-ylme...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCN(CC2)c2nccs2)c1
Show InChI InChI=1S/C23H22N8OS/c24-22-26-18(14-20-27-21(28-31(20)22)19-5-2-11-32-19)17-4-1-3-16(13-17)15-29-7-9-30(10-8-29)23-25-6-12-33-23/h1-6,11-14H,7-10,15H2,(H2,24,26)
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2.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169312
PNG
(7-(3-{4-[2-Fluoro-4-(2-methoxy-ethoxy)-phenyl]-pip...)
Show SMILES COCCOc1ccc(N2CCN(Cc3cccc(c3)-c3cc4nc(nn4c(N)n3)-c3ccco3)CC2)c(F)c1
Show InChI InChI=1S/C29H30FN7O3/c1-38-14-15-39-22-7-8-25(23(30)17-22)36-11-9-35(10-12-36)19-20-4-2-5-21(16-20)24-18-27-33-28(26-6-3-13-40-26)34-37(27)29(31)32-24/h2-8,13,16-18H,9-12,14-15,19H2,1H3,(H2,31,32)
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169331
PNG
(2-Furan-2-yl-7-(3-{4-[4-(2-methoxy-ethoxy)-2-methy...)
Show SMILES COCCOc1ccc(N2CCN(Cc3cccc(c3)-c3cc4nc(nn4c(N)n3)-c3ccco3)CC2)c(C)c1
Show InChI InChI=1S/C30H33N7O3/c1-21-17-24(39-16-15-38-2)8-9-26(21)36-12-10-35(11-13-36)20-22-5-3-6-23(18-22)25-19-28-33-29(27-7-4-14-40-27)34-37(28)30(31)32-25/h3-9,14,17-19H,10-13,15-16,20H2,1-2H3,(H2,31,32)
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169323
PNG
(2-Furan-2-yl-7-(3-{4-[4-(2-methoxy-ethoxy)-phenyl]...)
Show SMILES COCCOc1ccc(cc1)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
Show InChI InChI=1S/C29H31N7O3/c1-37-16-17-38-24-9-7-23(8-10-24)35-13-11-34(12-14-35)20-21-4-2-5-22(18-21)25-19-27-32-28(26-6-3-15-39-26)33-36(27)29(30)31-25/h2-10,15,18-19H,11-14,16-17,20H2,1H3,(H2,30,31)
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2.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169317
PNG
(CHEMBL360446 | [3-(5-Amino-2-furan-2-yl-[1,2,4]tri...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CO)c1
Show InChI InChI=1S/C16H13N5O2/c17-16-18-12(11-4-1-3-10(7-11)9-22)8-14-19-15(20-21(14)16)13-5-2-6-23-13/h1-8,22H,9H2,(H2,17,18)
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2.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169332
PNG
(7-(3-{4-[2-Chloro-4-(2-methoxy-ethoxy)-phenyl]-pip...)
Show SMILES COCCOc1ccc(N2CCN(Cc3cccc(c3)-c3cc4nc(nn4c(N)n3)-c3ccco3)CC2)c(Cl)c1
Show InChI InChI=1S/C29H30ClN7O3/c1-38-14-15-39-22-7-8-25(23(30)17-22)36-11-9-35(10-12-36)19-20-4-2-5-21(16-20)24-18-27-33-28(26-6-3-13-40-26)34-37(27)29(31)32-24/h2-8,13,16-18H,9-12,14-15,19H2,1H3,(H2,31,32)
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2.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169309
PNG
(7-(2,4-Dimethoxy-phenyl)-2-furan-2-yl-[1,2,4]triaz...)
Show SMILES COc1ccc(c(OC)c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C17H15N5O3/c1-23-10-5-6-11(14(8-10)24-2)12-9-15-20-16(13-4-3-7-25-13)21-22(15)17(18)19-12/h3-9H,1-2H3,(H2,18,19)
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2.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169304
PNG
(2-Furan-2-yl-7-(3-{4-[3-methoxy-4-(2-methoxy-ethox...)
Show SMILES COCCOc1ccc(cc1OC)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
Show InChI InChI=1S/C30H33N7O4/c1-38-15-16-41-25-9-8-23(18-27(25)39-2)36-12-10-35(11-13-36)20-21-5-3-6-22(17-21)24-19-28-33-29(26-7-4-14-40-26)34-37(28)30(31)32-24/h3-9,14,17-19H,10-13,15-16,20H2,1-2H3,(H2,31,32)
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3.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169306
PNG
(2-{4-[3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-...)
Show SMILES COCCOc1ccc(N2CCN(Cc3cccc(c3)-c3cc4nc(nn4c(N)n3)-c3ccco3)CC2)c(c1)C#N
Show InChI InChI=1S/C30H30N8O3/c1-39-14-15-40-24-7-8-26(23(17-24)19-31)37-11-9-36(10-12-37)20-21-4-2-5-22(16-21)25-18-28-34-29(27-6-3-13-41-27)35-38(28)30(32)33-25/h2-8,13,16-18H,9-12,14-15,20H2,1H3,(H2,32,33)
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3.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169339
PNG
(2-Furan-2-yl-7-{3-[(methyl-phenethyl-amino)-methyl...)
Show SMILES CN(CCc1ccccc1)Cc1cccc(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C25H24N6O/c1-30(13-12-18-7-3-2-4-8-18)17-19-9-5-10-20(15-19)21-16-23-28-24(22-11-6-14-32-22)29-31(23)25(26)27-21/h2-11,14-16H,12-13,17H2,1H3,(H2,26,27)
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3.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169322
PNG
(2-Furan-2-yl-7-m-tolyl-[1,2,4]triazolo[1,5-c]pyrim...)
Show SMILES Cc1cccc(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C16H13N5O/c1-10-4-2-5-11(8-10)12-9-14-19-15(13-6-3-7-22-13)20-21(14)16(17)18-12/h2-9H,1H3,(H2,17,18)
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3.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169324
PNG
(2-Furan-2-yl-7-(3-{4-[3-(2-methoxy-ethoxy)-phenyl]...)
Show SMILES COCCOc1cccc(c1)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
Show InChI InChI=1S/C29H31N7O3/c1-37-15-16-38-24-8-3-7-23(18-24)35-12-10-34(11-13-35)20-21-5-2-6-22(17-21)25-19-27-32-28(26-9-4-14-39-26)33-36(27)29(30)31-25/h2-9,14,17-19H,10-13,15-16,20H2,1H3,(H2,30,31)
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4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169338
PNG
(2-(furan-2-yl)-7-(2-methoxyphenyl)-[1,2,4]triazolo...)
Show SMILES COc1ccccc1-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C16H13N5O2/c1-22-12-6-3-2-5-10(12)11-9-14-19-15(13-7-4-8-23-13)20-21(14)16(17)18-11/h2-9H,1H3,(H2,17,18)
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4.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169315
PNG
(2-Furan-2-yl-7-thiophen-2-yl-[1,2,4]triazolo[1,5-c...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccs1
Show InChI InChI=1S/C13H9N5OS/c14-13-15-8(10-4-2-6-20-10)7-11-16-12(17-18(11)13)9-3-1-5-19-9/h1-7H,(H2,14,15)
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4.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169330
PNG
(2-Furan-2-yl-7-(3,4,5-trimethoxy-phenyl)-[1,2,4]tr...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C18H17N5O4/c1-24-13-7-10(8-14(25-2)16(13)26-3)11-9-15-21-17(12-5-4-6-27-12)22-23(15)18(19)20-11/h4-9H,1-3H3,(H2,19,20)
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4.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169319
PNG
(7-(2,5-Dimethoxy-phenyl)-2-furan-2-yl-[1,2,4]triaz...)
Show SMILES COc1ccc(OC)c(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C17H15N5O3/c1-23-10-5-6-13(24-2)11(8-10)12-9-15-20-16(14-4-3-7-25-14)21-22(15)17(18)19-12/h3-9H,1-2H3,(H2,18,19)
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4.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169333
PNG
(2-Furan-2-yl-7-(2,3,4-trimethoxy-phenyl)-[1,2,4]tr...)
Show SMILES COc1ccc(-c2cc3nc(nn3c(N)n2)-c2ccco2)c(OC)c1OC
Show InChI InChI=1S/C18H17N5O4/c1-24-12-7-6-10(15(25-2)16(12)26-3)11-9-14-21-17(13-5-4-8-27-13)22-23(14)18(19)20-11/h4-9H,1-3H3,(H2,19,20)
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4.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169321
PNG
(2-Furan-2-yl-7-[3-(4-phenyl-piperidin-1-ylmethyl)-...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C27H26N6O/c28-27-29-23(17-25-30-26(31-33(25)27)24-10-5-15-34-24)22-9-4-6-19(16-22)18-32-13-11-21(12-14-32)20-7-2-1-3-8-20/h1-10,15-17,21H,11-14,18H2,(H2,28,29)
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4.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169316
PNG
(2-Furan-2-yl-7-[3-(4-phenyl-piperazin-1-ylmethyl)-...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C26H25N7O/c27-26-28-22(17-24-29-25(30-33(24)26)23-10-5-15-34-23)20-7-4-6-19(16-20)18-31-11-13-32(14-12-31)21-8-2-1-3-9-21/h1-10,15-17H,11-14,18H2,(H2,27,28)
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4.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169336
PNG
(2-Furan-2-yl-7-(4-isopropyl-phenyl)-[1,2,4]triazol...)
Show SMILES CC(C)c1ccc(cc1)-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C18H17N5O/c1-11(2)12-5-7-13(8-6-12)14-10-16-21-17(15-4-3-9-24-15)22-23(16)18(19)20-14/h3-11H,1-2H3,(H2,19,20)
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4.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169301
PNG
(7-(3-Amino-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,...)
Show SMILES Nc1cccc(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C15H12N6O/c16-10-4-1-3-9(7-10)11-8-13-19-14(12-5-2-6-22-12)20-21(13)15(17)18-11/h1-8H,16H2,(H2,17,18)
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5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169334
PNG
(2-Furan-2-yl-7-(3-methoxy-phenyl)-[1,2,4]triazolo[...)
Show SMILES COc1cccc(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C16H13N5O2/c1-22-11-5-2-4-10(8-11)12-9-14-19-15(13-6-3-7-23-13)20-21(14)16(17)18-12/h2-9H,1H3,(H2,17,18)
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5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169310
PNG
(3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyri...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(c1)C#N
Show InChI InChI=1S/C16H10N6O/c17-9-10-3-1-4-11(7-10)12-8-14-20-15(13-5-2-6-23-13)21-22(14)16(18)19-12/h1-8H,(H2,18,19)
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5.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169303
PNG
(7-Biphenyl-3-yl-2-furan-2-yl-[1,2,4]triazolo[1,5-c...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C21H15N5O/c22-21-23-17(13-19-24-20(25-26(19)21)18-10-5-11-27-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13H,(H2,22,23)
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5.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169335
PNG
(7-(3-{4-[2,6-Difluoro-4-(2-methoxy-ethoxy)-phenyl]...)
Show SMILES COCCOc1cc(F)c(N2CCN(Cc3cccc(c3)-c3cc4nc(nn4c(N)n3)-c3ccco3)CC2)c(F)c1
Show InChI InChI=1S/C29H29F2N7O3/c1-39-12-13-40-21-15-22(30)27(23(31)16-21)37-9-7-36(8-10-37)18-19-4-2-5-20(14-19)24-17-26-34-28(25-6-3-11-41-25)35-38(26)29(32)33-24/h2-6,11,14-17H,7-10,12-13,18H2,1H3,(H2,32,33)
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6.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169300
PNG
(2-Furan-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccnc1
Show InChI InChI=1S/C14H10N6O/c15-14-17-10(9-3-1-5-16-8-9)7-12-18-13(19-20(12)14)11-4-2-6-21-11/h1-8H,(H2,15,17)
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6.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169307
PNG
(2-Furan-2-yl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimi...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1ccccc1
Show InChI InChI=1S/C15H11N5O/c16-15-17-11(10-5-2-1-3-6-10)9-13-18-14(19-20(13)15)12-7-4-8-21-12/h1-9H,(H2,16,17)
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169308
PNG
(7-(3,4-Dimethoxy-phenyl)-2-furan-2-yl-[1,2,4]triaz...)
Show SMILES COc1ccc(cc1OC)-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C17H15N5O3/c1-23-12-6-5-10(8-14(12)24-2)11-9-15-20-16(13-4-3-7-25-13)21-22(15)17(18)19-11/h3-9H,1-2H3,(H2,18,19)
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7.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169305
PNG
(2-Furan-2-yl-7-(4-methoxy-phenyl)-[1,2,4]triazolo[...)
Show SMILES COc1ccc(cc1)-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C16H13N5O2/c1-22-11-6-4-10(5-7-11)12-9-14-19-15(13-3-2-8-23-13)20-21(14)16(17)18-12/h2-9H,1H3,(H2,17,18)
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7.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169320
PNG
(7-{3-[4-(4-Fluoro-phenyl)-piperidin-1-ylmethyl]-ph...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCC(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C27H25FN6O/c28-22-8-6-19(7-9-22)20-10-12-33(13-11-20)17-18-3-1-4-21(15-18)23-16-25-31-26(24-5-2-14-35-24)32-34(25)27(29)30-23/h1-9,14-16,20H,10-13,17H2,(H2,29,30)
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7.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169327
PNG
(2-Furan-2-yl-7-p-tolyl-[1,2,4]triazolo[1,5-c]pyrim...)
Show SMILES Cc1ccc(cc1)-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C16H13N5O/c1-10-4-6-11(7-5-10)12-9-14-19-15(13-3-2-8-22-13)20-21(14)16(17)18-12/h2-9H,1H3,(H2,17,18)
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8.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169337
PNG
(2-Furan-2-yl-7-(3-{4-[4-(2-methoxy-ethoxy)-phenyl]...)
Show SMILES COCCOc1ccc(cc1)C1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
Show InChI InChI=1S/C30H32N6O3/c1-37-16-17-38-25-9-7-22(8-10-25)23-11-13-35(14-12-23)20-21-4-2-5-24(18-21)26-19-28-33-29(27-6-3-15-39-27)34-36(28)30(31)32-26/h2-10,15,18-19,23H,11-14,16-17,20H2,1H3,(H2,31,32)
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8.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169325
PNG
(7-{3-[4-(3,4-Dichloro-phenyl)-piperazin-1-ylmethyl...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCN(CC2)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C26H23Cl2N7O/c27-20-7-6-19(14-21(20)28)34-10-8-33(9-11-34)16-17-3-1-4-18(13-17)22-15-24-31-25(23-5-2-12-36-23)32-35(24)26(29)30-22/h1-7,12-15H,8-11,16H2,(H2,29,30)
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169311
PNG
(2-Furan-2-yl-7-o-tolyl-[1,2,4]triazolo[1,5-c]pyrim...)
Show SMILES Cc1ccccc1-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C16H13N5O/c1-10-5-2-3-6-11(10)12-9-14-19-15(13-7-4-8-22-13)20-21(14)16(17)18-12/h2-9H,1H3,(H2,17,18)
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22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169302
PNG
(7-(2,3-Dimethoxy-phenyl)-2-furan-2-yl-[1,2,4]triaz...)
Show SMILES COc1cccc(-c2cc3nc(nn3c(N)n2)-c2ccco2)c1OC
Show InChI InChI=1S/C17H15N5O3/c1-23-12-6-3-5-10(15(12)24-2)11-9-14-20-16(13-7-4-8-25-13)21-22(14)17(18)19-11/h3-9H,1-2H3,(H2,18,19)
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22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50169329
PNG
(7-(2,6-Dimethoxy-phenyl)-2-furan-2-yl-[1,2,4]triaz...)
Show SMILES COc1cccc(OC)c1-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C17H15N5O3/c1-23-11-5-3-6-12(24-2)15(11)10-9-14-20-16(13-7-4-8-25-13)21-22(14)17(18)19-10/h3-9H,1-2H3,(H2,18,19)
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1.70E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair