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19 similar compounds to monomer 50316210

Compile data set for download or QSAR
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: 770.9
BDBM50316204
Wt: 744.8
BDBM50316205
Wt: 776.8
BDBM50316206
Wt: 742.8
BDBM50316207
Wt: 751.7
BDBM50316213
Wt: 792.9
BDBM50316211
Wt: 777.8
BDBM50316212
Purchase
Wt: 741.9
BDBM50372029
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50233809,50233810,50233816,50316208,50316209,50316202,50316203,50316204,50316205,50316206,50316207,50316213,50316211,50316212,50372029   
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))
BDBM50316212
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)NC1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1
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4n/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
3D
3D Structure (crystal)
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316212
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)NC1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 58: 3253-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00215
BindingDB Entry DOI: 10.7270/Q2X068RF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 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))
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))
BDBM50316204
PNG
(CHEMBL1096888 | N-(2-(3-(2-(cyclopentyl(isopropyl)...)
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)C1CCCC1
Show InChI InChI=1S/C40H54N10O6/c1-4-41-37(53)33-31(51)32(52)39(56-33)50-24-46-30-34(45-23-29(26-13-7-5-8-14-26)27-15-9-6-10-16-27)47-35(48-36(30)50)38(54)42-19-20-43-40(55)44-21-22-49(25(2)3)28-17-11-12-18-28/h5-10,13-16,24-25,28-29,31-33,39,51-52H,4,11-12,17-23H2,1-3H3,(H,41,53)(H,42,54)(H2,43,44,55)(H,45,47,48)/t31-,32+,33-,39+/m0/s1
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n/an/a 7n/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))
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))
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
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))
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))
BDBM50316211
PNG
(CHEMBL1096895 | N-(2-(3-(4-((diethylamino)methyl)b...)
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(CN(CC)CC)cc1
Show InChI InChI=1S/C42H52N10O6/c1-4-43-39(55)35-33(53)34(54)41(58-35)52-26-48-32-36(46-24-31(29-13-9-7-10-14-29)30-15-11-8-12-16-30)49-37(50-38(32)52)40(56)44-21-22-45-42(57)47-23-27-17-19-28(20-18-27)25-51(5-2)6-3/h7-20,26,31,33-35,41,53-54H,4-6,21-25H2,1-3H3,(H,43,55)(H,44,56)(H2,45,47,57)(H,46,49,50)/t33-,34+,35-,41+/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))
BDBM50316212
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)NC1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1
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n/an/a 4n/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
3D
3D Structure (crystal)
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))
BDBM50372029
PNG
(CHEMBL256489)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC(=O)NCCN(C3CCCCC3)C(C)(C)C)nc12
Show InChI InChI=1S/C40H55N9O5/c1-5-41-37(52)34-32(50)33(51)38(54-34)48-25-45-31-35(43-23-29(26-15-9-6-10-16-26)27-17-11-7-12-18-27)46-30(47-36(31)48)24-44-39(53)42-21-22-49(40(2,3)4)28-19-13-8-14-20-28/h6-7,9-12,15-18,25,28-29,32-34,38,50-51H,5,8,13-14,19-24H2,1-4H3,(H,41,52)(H2,42,44,53)(H,43,46,47)/t32-,33+,34-,38+/m0/s1
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n/an/a 33n/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))
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 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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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 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))
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