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23 similar compounds to monomer 50316204

Compile data set for download or QSAR
Wt: 587.6
BDBM50085662
Wt: 571.6
BDBM50085665
Wt: 614.7
BDBM50085671
Wt: 600.7
BDBM50085674
Wt: 671.7
BDBM50233809
Wt: 601.6
BDBM50233810
Purchase
Wt: 713.8
BDBM50233816
Wt: 721.8
BDBM50316208
Wt: 707.7
BDBM50316209
Wt: 728.8
BDBM50316202
Wt: 687.7
BDBM50316203
Wt: 744.8
BDBM50316205
Wt: 776.8
BDBM50316206
Wt: 742.8
BDBM50316207
Wt: 751.7
BDBM50316213
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50085662,50085665,50085671,50085674,50233809,50233810,50233816,50316208,50316209,50316202,50316203,50316205,50316206,50316207,50316213   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50085674
PNG
((2S,3S,4R,5R)-5-[2-(4-Amino-cyclohexylamino)-6-(2,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C32H40N8O4/c1-2-34-30(43)27-25(41)26(42)31(44-27)40-18-36-24-28(38-32(39-29(24)40)37-22-15-13-21(33)14-16-22)35-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-23,25-27,31,41-42H,2,13-17,33H2,1H3,(H,34,43)(H2,35,37,38,39)/t21-,22-,25-,26+,27-,31+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.


Bioorg Med Chem Lett 10: 403-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00017-2
BindingDB Entry DOI: 10.7270/Q2XK8G2K
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50085671
PNG
((2S,3S,4R,5R)-5-[6-(2,2-Diphenyl-ethylamino)-2-(2-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCN3CCCCC3)nc12
Show InChI InChI=1S/C33H42N8O4/c1-2-34-31(44)28-26(42)27(43)32(45-28)41-21-37-25-29(38-33(39-30(25)41)35-16-19-40-17-10-5-11-18-40)36-20-24(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-4,6-9,12-15,21,24,26-28,32,42-43H,2,5,10-11,16-20H2,1H3,(H,34,44)(H2,35,36,38,39)/t26-,27+,28-,32+/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.


Bioorg Med Chem Lett 10: 403-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00017-2
BindingDB Entry DOI: 10.7270/Q2XK8G2K
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50085662
PNG
((2S,3S,4R,5R)-5-[6-(2,2-Diphenyl-ethylamino)-2-((1...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@@H]3CCC[C@H]3O)nc12
Show InChI InChI=1S/C31H37N7O5/c1-2-32-29(42)26-24(40)25(41)30(43-26)38-17-34-23-27(36-31(37-28(23)38)35-21-14-9-15-22(21)39)33-16-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-22,24-26,30,39-41H,2,9,14-16H2,1H3,(H,32,42)(H2,33,35,36,37)/t21-,22-,24+,25-,26+,30-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.


Bioorg Med Chem Lett 10: 403-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00017-2
BindingDB Entry DOI: 10.7270/Q2XK8G2K
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50085665
PNG
((2S,3S,4R,5R)-5-[2-Cyclopentylamino-6-(2,2-dipheny...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12
Show InChI InChI=1S/C31H37N7O4/c1-2-32-29(41)26-24(39)25(40)30(42-26)38-18-34-23-27(36-31(37-28(23)38)35-21-15-9-10-16-21)33-17-22(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18,21-22,24-26,30,39-40H,2,9-10,15-17H2,1H3,(H,32,41)(H2,33,35,36,37)/t24-,25+,26-,30+/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.


Bioorg Med Chem Lett 10: 403-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00017-2
BindingDB Entry DOI: 10.7270/Q2XK8G2K
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50233810
PNG
(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C32H39N7O5/c40-19-24-26(41)27(42)32(44-24)39-20-35-25-28(34-18-23(21-10-4-1-5-11-21)22-12-6-2-7-13-22)36-29(37-30(25)39)31(43)33-14-17-38-15-8-3-9-16-38/h1-2,4-7,10-13,20,23-24,26-27,32,40-42H,3,8-9,14-19H2,(H,33,43)(H,34,36,37)/t24-,26-,27-,32-/m1/s1
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20.1n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity to A2A adenosine receptor


J Med Chem 55: 538-52 (2012)


Article DOI: 10.1021/jm201461q
BindingDB Entry DOI: 10.7270/Q22Z160R
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50085671
PNG
((2S,3S,4R,5R)-5-[6-(2,2-Diphenyl-ethylamino)-2-(2-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCN3CCCCC3)nc12
Show InChI InChI=1S/C33H42N8O4/c1-2-34-31(44)28-26(42)27(43)32(45-28)41-21-37-25-29(38-33(39-30(25)41)35-16-19-40-17-10-5-11-18-40)36-20-24(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-4,6-9,12-15,21,24,26-28,32,42-43H,2,5,10-11,16-20H2,1H3,(H,34,44)(H2,35,36,38,39)/t26-,27+,28-,32+/m0/s1
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263n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.


Bioorg Med Chem Lett 10: 403-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00017-2
BindingDB Entry DOI: 10.7270/Q2XK8G2K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50085674
PNG
((2S,3S,4R,5R)-5-[2-(4-Amino-cyclohexylamino)-6-(2,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C32H40N8O4/c1-2-34-30(43)27-25(41)26(42)31(44-27)40-18-36-24-28(38-32(39-29(24)40)37-22-15-13-21(33)14-16-22)35-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-23,25-27,31,41-42H,2,13-17,33H2,1H3,(H,34,43)(H2,35,37,38,39)/t21-,22-,25-,26+,27-,31+/m0/s1
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369n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.


Bioorg Med Chem Lett 10: 403-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00017-2
BindingDB Entry DOI: 10.7270/Q2XK8G2K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50085662
PNG
((2S,3S,4R,5R)-5-[6-(2,2-Diphenyl-ethylamino)-2-((1...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@@H]3CCC[C@H]3O)nc12
Show InChI InChI=1S/C31H37N7O5/c1-2-32-29(42)26-24(40)25(41)30(43-26)38-17-34-23-27(36-31(37-28(23)38)35-21-14-9-15-22(21)39)33-16-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-22,24-26,30,39-41H,2,9,14-16H2,1H3,(H,32,42)(H2,33,35,36,37)/t21-,22-,24+,25-,26+,30-/m1/s1
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390n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.


Bioorg Med Chem Lett 10: 403-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00017-2
BindingDB Entry DOI: 10.7270/Q2XK8G2K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50085665
PNG
((2S,3S,4R,5R)-5-[2-Cyclopentylamino-6-(2,2-dipheny...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12
Show InChI InChI=1S/C31H37N7O4/c1-2-32-29(41)26-24(39)25(40)30(42-26)38-18-34-23-27(36-31(37-28(23)38)35-21-15-9-10-16-21)33-17-22(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18,21-22,24-26,30,39-40H,2,9-10,15-17H2,1H3,(H,32,41)(H2,33,35,36,37)/t24-,25+,26-,30+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.


Bioorg Med Chem Lett 10: 403-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00017-2
BindingDB Entry DOI: 10.7270/Q2XK8G2K
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316209
PNG
(CHEMBL1096893 | N-(2-(3-benzylureido)ethyl)-6-(2,2...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCc1ccccc1
Show InChI InChI=1S/C37H41N9O6/c1-2-38-34(49)30-28(47)29(48)36(52-30)46-22-43-27-31(41-21-26(24-14-8-4-9-15-24)25-16-10-5-11-17-25)44-32(45-33(27)46)35(50)39-18-19-40-37(51)42-20-23-12-6-3-7-13-23/h3-17,22,26,28-30,36,47-48H,2,18-21H2,1H3,(H,38,49)(H,39,50)(H2,40,42,51)(H,41,44,45)/t28-,29+,30-,36+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...


Bioorg Med Chem Lett 19: 4471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.027
BindingDB Entry DOI: 10.7270/Q2ST7Q0C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316213
PNG
(4-((3-(2-(6-(2,2-diphenylethylamino)-9-((2R,3R,4S,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C38H41N9O8/c1-2-39-34(50)30-28(48)29(49)36(55-30)47-21-44-27-31(42-20-26(23-9-5-3-6-10-23)24-11-7-4-8-12-24)45-32(46-33(27)47)35(51)40-17-18-41-38(54)43-19-22-13-15-25(16-14-22)37(52)53/h3-16,21,26,28-30,36,48-49H,2,17-20H2,1H3,(H,39,50)(H,40,51)(H,52,53)(H2,41,43,54)(H,42,45,46)/t28-,29+,30-,36+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...


Bioorg Med Chem Lett 19: 4471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.027
BindingDB Entry DOI: 10.7270/Q2ST7Q0C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50233809
PNG
((2S,3S,4R,5R)-5-(6-(2,2-diphenylethylamino)-2-((3-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC(=O)NCCN3CCCCC3)nc12
Show InChI InChI=1S/C35H45N9O5/c1-2-36-33(47)30-28(45)29(46)34(49-30)44-22-40-27-31(38-20-25(23-12-6-3-7-13-23)24-14-8-4-9-15-24)41-26(42-32(27)44)21-39-35(48)37-16-19-43-17-10-5-11-18-43/h3-4,6-9,12-15,22,25,28-30,34,45-46H,2,5,10-11,16-21H2,1H3,(H,36,47)(H2,37,39,48)(H,38,41,42)/t28-,29+,30-,34+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 18: 1284-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.033
BindingDB Entry DOI: 10.7270/Q22808F4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50233810
PNG
(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C32H39N7O5/c40-19-24-26(41)27(42)32(44-24)39-20-35-25-28(34-18-23(21-10-4-1-5-11-21)22-12-6-2-7-13-22)36-29(37-30(25)39)31(43)33-14-17-38-15-8-3-9-16-38/h1-2,4-7,10-13,20,23-24,26-27,32,40-42H,3,8-9,14-19H2,(H,33,43)(H,34,36,37)/t24-,26-,27-,32-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 18: 1284-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.033
BindingDB Entry DOI: 10.7270/Q22808F4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316208
PNG
(6-(2,2-diphenylethylamino)-9-((2R,3R,4S,5S)-5-(eth...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCCc1ccccc1
Show InChI InChI=1S/C38H43N9O6/c1-2-39-35(50)31-29(48)30(49)37(53-31)47-23-44-28-32(43-22-27(25-14-8-4-9-15-25)26-16-10-5-11-17-26)45-33(46-34(28)47)36(51)40-20-21-42-38(52)41-19-18-24-12-6-3-7-13-24/h3-17,23,27,29-31,37,48-49H,2,18-22H2,1H3,(H,39,50)(H,40,51)(H2,41,42,52)(H,43,45,46)/t29-,30+,31-,37+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...


Bioorg Med Chem Lett 19: 4471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.027
BindingDB Entry DOI: 10.7270/Q2ST7Q0C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50233816
PNG
((2S,3S,4R,5R)-5-(2-((3-(2-(cyclopentyl(isopropyl)a...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC(=O)NCCN(C(C)C)C3CCCC3)nc12
Show InChI InChI=1S/C38H51N9O5/c1-4-39-36(50)33-31(48)32(49)37(52-33)47-23-43-30-34(41-21-28(25-13-7-5-8-14-25)26-15-9-6-10-16-26)44-29(45-35(30)47)22-42-38(51)40-19-20-46(24(2)3)27-17-11-12-18-27/h5-10,13-16,23-24,27-28,31-33,37,48-49H,4,11-12,17-22H2,1-3H3,(H,39,50)(H2,40,42,51)(H,41,44,45)/t31-,32+,33-,37+/m0/s1
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PubMed
n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 18: 1284-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.033
BindingDB Entry DOI: 10.7270/Q22808F4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316206
PNG
(CHEMBL1096890 | N-(2-(3-(2-(3,4-dihydroisoquinolin...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCCN1CCc2ccccc2C1
Show InChI InChI=1S/C41H48N10O6/c1-2-42-38(54)34-32(52)33(53)40(57-34)51-25-47-31-35(46-23-30(27-12-5-3-6-13-27)28-14-7-4-8-15-28)48-36(49-37(31)51)39(55)43-18-19-44-41(56)45-20-22-50-21-17-26-11-9-10-16-29(26)24-50/h3-16,25,30,32-34,40,52-53H,2,17-24H2,1H3,(H,42,54)(H,43,55)(H2,44,45,56)(H,46,48,49)/t32-,33+,34-,40+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...


Bioorg Med Chem Lett 19: 4471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.027
BindingDB Entry DOI: 10.7270/Q2ST7Q0C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316205
PNG
(CHEMBL1096889 | N-(2-(3-(2-(diisopropylamino)ethyl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCCN(C(C)C)C(C)C
Show InChI InChI=1S/C38H52N10O6/c1-6-39-35(51)31-29(49)30(50)37(54-31)48-22-44-28-32(43-21-27(25-13-9-7-10-14-25)26-15-11-8-12-16-26)45-33(46-34(28)48)36(52)40-17-18-41-38(53)42-19-20-47(23(2)3)24(4)5/h7-16,22-24,27,29-31,37,49-50H,6,17-21H2,1-5H3,(H,39,51)(H,40,52)(H2,41,42,53)(H,43,45,46)/t29-,30+,31-,37+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...


Bioorg Med Chem Lett 19: 4471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.027
BindingDB Entry DOI: 10.7270/Q2ST7Q0C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316203
PNG
(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)te...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCCN1CCCCC1
Show InChI InChI=1S/C35H45N9O6/c45-21-26-28(46)29(47)34(50-26)44-22-40-27-30(39-20-25(23-10-4-1-5-11-23)24-12-6-2-7-13-24)41-31(42-32(27)44)33(48)36-14-15-37-35(49)38-16-19-43-17-8-3-9-18-43/h1-2,4-7,10-13,22,25-26,28-29,34,45-47H,3,8-9,14-21H2,(H,36,48)(H2,37,38,49)(H,39,41,42)/t26-,28-,29-,34-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...


Bioorg Med Chem Lett 19: 4471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.027
BindingDB Entry DOI: 10.7270/Q2ST7Q0C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316202
PNG
(6-(2,2-diphenylethylamino)-9-((2R,3R,4S,5S)-5-(eth...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCCN1CCCCC1
Show InChI InChI=1S/C37H48N10O6/c1-2-38-34(50)30-28(48)29(49)36(53-30)47-23-43-27-31(42-22-26(24-12-6-3-7-13-24)25-14-8-4-9-15-25)44-32(45-33(27)47)35(51)39-16-17-40-37(52)41-18-21-46-19-10-5-11-20-46/h3-4,6-9,12-15,23,26,28-30,36,48-49H,2,5,10-11,16-22H2,1H3,(H,38,50)(H,39,51)(H2,40,41,52)(H,42,44,45)/t28-,29+,30-,36+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...


Bioorg Med Chem Lett 19: 4471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.027
BindingDB Entry DOI: 10.7270/Q2ST7Q0C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50233809
PNG
((2S,3S,4R,5R)-5-(6-(2,2-diphenylethylamino)-2-((3-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC(=O)NCCN3CCCCC3)nc12
Show InChI InChI=1S/C35H45N9O5/c1-2-36-33(47)30-28(45)29(46)34(49-30)44-22-40-27-31(38-20-25(23-12-6-3-7-13-23)24-14-8-4-9-15-24)41-26(42-32(27)44)21-39-35(48)37-16-19-43-17-10-5-11-18-43/h3-4,6-9,12-15,22,25,28-30,34,45-46H,2,5,10-11,16-21H2,1H3,(H,36,47)(H2,37,39,48)(H,38,41,42)/t28-,29+,30-,34+/m0/s1
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PubMed
n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...


Bioorg Med Chem Lett 19: 4471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.027
BindingDB Entry DOI: 10.7270/Q2ST7Q0C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50233810
PNG
(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C32H39N7O5/c40-19-24-26(41)27(42)32(44-24)39-20-35-25-28(34-18-23(21-10-4-1-5-11-21)22-12-6-2-7-13-22)36-29(37-30(25)39)31(43)33-14-17-38-15-8-3-9-16-38/h1-2,4-7,10-13,20,23-24,26-27,32,40-42H,3,8-9,14-19H2,(H,33,43)(H,34,36,37)/t24-,26-,27-,32-/m1/s1
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PubMed
n/an/a 65n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...


Bioorg Med Chem Lett 19: 4471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.027
BindingDB Entry DOI: 10.7270/Q2ST7Q0C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50233816
PNG
((2S,3S,4R,5R)-5-(2-((3-(2-(cyclopentyl(isopropyl)a...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC(=O)NCCN(C(C)C)C3CCCC3)nc12
Show InChI InChI=1S/C38H51N9O5/c1-4-39-36(50)33-31(48)32(49)37(52-33)47-23-43-30-34(41-21-28(25-13-7-5-8-14-25)26-15-9-6-10-16-26)44-29(45-35(30)47)22-42-38(51)40-19-20-46(24(2)3)27-17-11-12-18-27/h5-10,13-16,23-24,27-28,31-33,37,48-49H,4,11-12,17-22H2,1-3H3,(H,39,50)(H2,40,42,51)(H,41,44,45)/t31-,32+,33-,37+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...


Bioorg Med Chem Lett 19: 4471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.027
BindingDB Entry DOI: 10.7270/Q2ST7Q0C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316207
PNG
(6-(2,2-diphenylethylamino)-9-((2R,3R,4S,5S)-5-(eth...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCN(C)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C38H50N10O6/c1-3-39-35(51)31-29(49)30(50)37(54-31)48-24-43-28-32(42-23-27(25-13-7-4-8-14-25)26-15-9-5-10-16-26)44-33(45-34(28)48)36(52)40-17-21-46(2)38(53)41-18-22-47-19-11-6-12-20-47/h4-5,7-10,13-16,24,27,29-31,37,49-50H,3,6,11-12,17-23H2,1-2H3,(H,39,51)(H,40,52)(H,41,53)(H,42,44,45)/t29-,30+,31-,37+/m0/s1
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n/an/a 305n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...


Bioorg Med Chem Lett 19: 4471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.027
BindingDB Entry DOI: 10.7270/Q2ST7Q0C
More data for this
Ligand-Target Pair