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Compile Data Set for Download or QSAR

Found 581 hits of ic50 data for polymerid = 4341   
Target
(Institution)
LigandTarget
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 A2B


(Homo sapiens (Human))
BDBM50186980
PNG
(6-(4-{[4-(4-bromobenzyl)piperazin-1-yl]sulfonyl}ph...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C25H26BrN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-5-9-20(10-6-18)36(34,35)31-13-11-30(12-14-31)16-17-3-7-19(26)8-4-17/h3-10,15,27H,11-14,16H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50268232
PNG
(8-(4-(4-(4-Chlorophenyl)piperazine-1-sulfonyl)phen...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)
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n/an/a 1.13n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50310923
PNG
(CHEMBL1077943 | US9120807, 6 | {6-Methylamino-2-[(...)
Show SMILES CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
Show InChI InChI=1S/C18H15N5OS2/c1-19-14-8-12-17(26-14)15(16(24)13-5-3-7-25-13)23-18(22-12)21-10-11-4-2-6-20-9-11/h2-9,19H,10H2,1H3,(H,21,22,23)
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US Patent
n/an/a 1.40n/an/an/an/an/an/a



Vernalis (R&D) Ltd.

US Patent


Assay Description
The use of a Fluorometric Imaging Plate Reader (FLIPR) to measure calcium flux in Adenosine-receptor expressing cells is a well-established technique...


US Patent US9120807 (2015)

More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50083922
PNG
(3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-14-13(10-6-2-1-3-7-10)17-18-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,18)
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n/an/a 1.40n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50268163
PNG
(1-Propyl-8-(4-(4-(4-trifluoromethylbenzyl)piperazi...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C26H27F3N6O4S/c1-2-11-35-24(36)21-23(32-25(35)37)31-22(30-21)18-5-9-20(10-6-18)40(38,39)34-14-12-33(13-15-34)16-17-3-7-19(8-4-17)26(27,28)29/h3-10H,2,11-16H2,1H3,(H,30,31)(H,32,37)
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n/an/a 1.62n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50268110
PNG
(8-(4-(4-(3-Chlorobenzyl)piperazine-1-sulfonyl)phen...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C25H27ClN6O4S/c1-2-10-32-24(33)21-23(29-25(32)34)28-22(27-21)18-6-8-20(9-7-18)37(35,36)31-13-11-30(12-14-31)16-17-4-3-5-19(26)15-17/h3-9,15H,2,10-14,16H2,1H3,(H,27,28)(H,29,34)
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n/an/a 1.91n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50383006
PNG
(CHEMBL2030704)
Show SMILES Clc1ccc(cc1)-n1c2ccccc2n2c1nnc(-c1ccco1)c2=O
Show InChI InChI=1S/C19H11ClN4O2/c20-12-7-9-13(10-8-12)23-14-4-1-2-5-15(14)24-18(25)17(21-22-19(23)24)16-6-3-11-26-16/h1-11H
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n/an/a 2.11n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50268164
PNG
(1-Ethyl-8-(4-(4-(3-trifluoromethylbenzyl)piperazin...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C25H25F3N6O4S/c1-2-34-23(35)20-22(31-24(34)36)30-21(29-20)17-6-8-19(9-7-17)39(37,38)33-12-10-32(11-13-33)15-16-4-3-5-18(14-16)25(26,27)28/h3-9,14H,2,10-13,15H2,1H3,(H,29,30)(H,31,36)
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n/an/a 2.29n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50383007
PNG
(CHEMBL2030703)
Show SMILES Clc1ccc(cc1)-n1c2ccccc2n2c1nnc(-c1ccccc1)c2=O
Show InChI InChI=1S/C21H13ClN4O/c22-15-10-12-16(13-11-15)25-17-8-4-5-9-18(17)26-20(27)19(23-24-21(25)26)14-6-2-1-3-7-14/h1-13H
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n/an/a 2.42n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50383005
PNG
(CHEMBL2030705)
Show SMILES O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C23H18N4O/c28-22-21(18-11-5-2-6-12-18)24-25-23-26(16-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)27(22)23/h1-14H,15-16H2
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n/an/a 2.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50383004
PNG
(CHEMBL2030707)
Show SMILES Clc1ccc2n(-c3ccccc3)c3nnc(-c4ccccc4)c(=O)n3c2c1
Show InChI InChI=1S/C21H13ClN4O/c22-15-11-12-17-18(13-15)26-20(27)19(14-7-3-1-4-8-14)23-24-21(26)25(17)16-9-5-2-6-10-16/h1-13H
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n/an/a 3.10n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50268150
PNG
(8-(4-(4-(3-Fluorobenzyl)piperazine-1-sulfonyl)phen...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
Show InChI InChI=1S/C25H27FN6O4S/c1-2-10-32-24(33)21-23(29-25(32)34)28-22(27-21)18-6-8-20(9-7-18)37(35,36)31-13-11-30(12-14-31)16-17-4-3-5-19(26)15-17/h3-9,15H,2,10-14,16H2,1H3,(H,27,28)(H,29,34)
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n/an/a 3.23n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50310923
PNG
(CHEMBL1077943 | US9120807, 6 | {6-Methylamino-2-[(...)
Show SMILES CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
Show InChI InChI=1S/C18H15N5OS2/c1-19-14-8-12-17(26-14)15(16(24)13-5-3-7-25-13)23-18(22-12)21-10-11-4-2-6-20-9-11/h2-9,19H,10H2,1H3,(H,21,22,23)
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n/an/a 3.5n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50268165
PNG
(1-Propyl-8-(4-(4-(3-trifluoromethylbenzyl)piperazi...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C26H27F3N6O4S/c1-2-10-35-24(36)21-23(32-25(35)37)31-22(30-21)18-6-8-20(9-7-18)40(38,39)34-13-11-33(12-14-34)16-17-4-3-5-19(15-17)26(27,28)29/h3-9,15H,2,10-14,16H2,1H3,(H,30,31)(H,32,37)
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n/an/a 3.56n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50268129
PNG
(8-(4-(4-(4-chlorobenzyl)piperazin-1-ylsulfonyl)phe...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H27ClN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,34)
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n/an/a 3.64n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50186973
PNG
(6-(4-(4-((5-chlorothiophen-2-yl)methyl)piperazin-1...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)s2)CC1
Show InChI InChI=1S/C23H24ClN5O4S2/c1-26-19-13-18(25-21(19)22(30)27(2)23(26)31)15-3-6-17(7-4-15)35(32,33)29-11-9-28(10-12-29)14-16-5-8-20(24)34-16/h3-8,13,25H,9-12,14H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50268108
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-eth...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)
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n/an/a 4.49n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50268182
PNG
(1-Ethyl-8-(4-(4-(4-methoxybenzyl)piperazine-1-sulf...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)cc2)CC1
Show InChI InChI=1S/C25H28N6O5S/c1-3-31-24(32)21-23(28-25(31)33)27-22(26-21)18-6-10-20(11-7-18)37(34,35)30-14-12-29(13-15-30)16-17-4-8-19(36-2)9-5-17/h4-11H,3,12-16H2,1-2H3,(H,26,27)(H,28,33)
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n/an/a 5.26n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50268210
PNG
(8-(4-(4-Benzo[1,3]dioxol-5-ylmethylpiperazine-1-su...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C25H26N6O6S/c1-2-31-24(32)21-23(28-25(31)33)27-22(26-21)17-4-6-18(7-5-17)38(34,35)30-11-9-29(10-12-30)14-16-3-8-19-20(13-16)37-15-36-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,26,27)(H,28,33)
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n/an/a 5.34n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50383010
PNG
(CHEMBL2030706)
Show SMILES O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccco1
Show InChI InChI=1S/C21H16N4O2/c26-20-19(18-11-6-14-27-18)22-23-21-24(13-12-15-7-2-1-3-8-15)16-9-4-5-10-17(16)25(20)21/h1-11,14H,12-13H2
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n/an/a 5.34n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50321522
PNG
(CHEMBL1171164 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(c4)C(F)(F)F)c3)sc12
Show InChI InChI=1S/C24H22F3N5O3S/c1-4-32(14(2)33)18-8-9-19(35-3)20-21(18)36-23(29-20)30-22(34)16-11-28-31(13-16)12-15-6-5-7-17(10-15)24(25,26)27/h5-11,13H,4,12H2,1-3H3,(H,29,30,34)
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n/an/a 6n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50186991
PNG
(1,3-dimethyl-6-(4-(4-phenylpiperazin-1-ylsulfonyl)...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H25N5O4S/c1-26-21-16-20(25-22(21)23(30)27(2)24(26)31)17-8-10-19(11-9-17)34(32,33)29-14-12-28(13-15-29)18-6-4-3-5-7-18/h3-11,16,25H,12-15H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50186979
PNG
(4-((4-(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetr...)
Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C28H30N6O4S/c1-3-12-34-27(35)26-25(31(2)28(34)36)17-24(30-26)22-8-10-23(11-9-22)39(37,38)33-15-13-32(14-16-33)19-21-6-4-20(18-29)5-7-21/h4-11,17,30H,3,12-16,19H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50321522
PNG
(CHEMBL1171164 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(c4)C(F)(F)F)c3)sc12
Show InChI InChI=1S/C24H22F3N5O3S/c1-4-32(14(2)33)18-8-9-19(35-3)20-21(18)36-23(29-20)30-22(34)16-11-28-31(13-16)12-15-6-5-7-17(10-15)24(25,26)27/h5-11,13H,4,12H2,1-3H3,(H,29,30,34)
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n/an/a 6n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50365309
PNG
(CHEMBL1955915)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Cl)cc3[nH]2)no1
Show InChI InChI=1S/C22H22ClN7O4/c1-3-7-29-20-18(21(31)30(8-4-2)22(29)32)26-19(27-20)15-10-17(28-34-15)33-11-16-24-13-6-5-12(23)9-14(13)25-16/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 6.40n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced [3H]cAMP production aft...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50310925
PNG
(CHEMBL1081160 | US9120807, 7 | {6-dimethylamino-2-...)
Show SMILES CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
Show InChI InChI=1S/C19H17N5OS2/c1-24(2)15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)23-19(22-13)21-11-12-5-3-7-20-10-12/h3-10H,11H2,1-2H3,(H,21,22,23)
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n/an/a 6.5n/an/an/an/an/an/a



Vernalis (R&D) Ltd.

US Patent


Assay Description
The use of a Fluorometric Imaging Plate Reader (FLIPR) to measure calcium flux in Adenosine-receptor expressing cells is a well-established technique...


US Patent US9120807 (2015)

More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50310924
PNG
(CHEMBL1080421 | US9120807, 8 | {6-Ethylamino-2-[(p...)
Show SMILES CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
Show InChI InChI=1S/C19H17N5OS2/c1-2-21-15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)24-19(23-13)22-11-12-5-3-7-20-10-12/h3-10,21H,2,11H2,1H3,(H,22,23,24)
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n/an/a 6.70n/an/an/an/an/an/a



Vernalis (R&D) Ltd.

US Patent


Assay Description
The use of a Fluorometric Imaging Plate Reader (FLIPR) to measure calcium flux in Adenosine-receptor expressing cells is a well-established technique...


US Patent US9120807 (2015)

More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50321519
PNG
(CHEMBL1170519 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cc[nH]c3)sc12
Show InChI InChI=1S/C17H18N4O3S/c1-4-21(10(2)22)12-5-6-13(24-3)14-15(12)25-17(19-14)20-16(23)11-7-8-18-9-11/h5-9,18H,4H2,1-3H3,(H,19,20,23)
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n/an/a 7n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50186992
PNG
(6-(4-(4-(2,4-difluorobenzyl)piperazin-1-ylsulfonyl...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C25H25F2N5O4S/c1-29-22-14-21(28-23(22)24(33)30(2)25(29)34)16-4-7-19(8-5-16)37(35,36)32-11-9-31(10-12-32)15-17-3-6-18(26)13-20(17)27/h3-8,13-14,28H,9-12,15H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50186977
PNG
(6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phe...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
Show InChI InChI=1S/C25H26FN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-6-8-20(9-7-18)36(34,35)31-12-10-30(11-13-31)16-17-4-3-5-19(26)14-17/h3-9,14-15,27H,10-13,16H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50310922
PNG
(CHEMBL1080241 | US9120807, 9 | {6-Amino-2-[(pyridi...)
Show SMILES Nc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
Show InChI InChI=1S/C17H13N5OS2/c18-13-7-11-16(25-13)14(15(23)12-4-2-6-24-12)22-17(21-11)20-9-10-3-1-5-19-8-10/h1-8H,9,18H2,(H,20,21,22)
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n/an/a 7.10n/an/an/an/an/an/a



Vernalis (R&D) Ltd.

US Patent


Assay Description
The use of a Fluorometric Imaging Plate Reader (FLIPR) to measure calcium flux in Adenosine-receptor expressing cells is a well-established technique...


US Patent US9120807 (2015)

More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50321533
PNG
(CHEMBL1171525 | methyl 2-(N-(2-(4-fluorobenzamido)...)
Show SMILES COC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C20H18FN3O5S/c1-11(25)24(10-16(26)29-3)14-8-9-15(28-2)17-18(14)30-20(22-17)23-19(27)12-4-6-13(21)7-5-12/h4-9H,10H2,1-3H3,(H,22,23,27)
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n/an/a 8n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50341191
PNG
(CHEMBL1760888 | cis-N-((1S,3R)-3-(7-(N-ethylacetam...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H27F3N4O4S/c1-4-33(14(2)34)19-10-11-20(37-3)21-22(19)38-25(31-21)32-24(36)16-8-9-18(13-16)30-23(35)15-6-5-7-17(12-15)26(27,28)29/h5-7,10-12,16,18H,4,8-9,13H2,1-3H3,(H,30,35)(H,31,32,36)/t16-,18+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50365313
PNG
(CHEMBL1955919)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)no1
Show InChI InChI=1S/C22H21ClFN7O4/c1-3-5-30-20-18(21(32)31(6-4-2)22(30)33)27-19(28-20)15-9-17(29-35-15)34-10-16-25-13-7-11(23)12(24)8-14(13)26-16/h7-9H,3-6,10H2,1-2H3,(H,25,26)(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced [3H]cAMP production aft...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50341188
PNG
(CHEMBL1760899 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(CC3)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H27F3N4O4S/c1-4-32(15(2)33)18-8-9-19(36-3)20-21(18)37-22(29-20)30-23(34)31-12-10-24(35,11-13-31)16-6-5-7-17(14-16)25(26,27)28/h5-9,14,35H,4,10-13H2,1-3H3,(H,29,30,34)
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n/an/a 8n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50341192
PNG
(CHEMBL1760889 | trans-N-((1R,3R)-3-(7-(N-ethylacet...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H27F3N4O4S/c1-4-33(14(2)34)19-10-11-20(37-3)21-22(19)38-25(31-21)32-24(36)16-8-9-18(13-16)30-23(35)15-6-5-7-17(12-15)26(27,28)29/h5-7,10-12,16,18H,4,8-9,13H2,1-3H3,(H,30,35)(H,31,32,36)/t16-,18-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50365317
PNG
(CHEMBL1955923)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(=O)[nH]n1C
Show InChI InChI=1S/C16H21N5O3/c1-4-6-20-12-8-10(11-9-13(22)18-19(11)3)17-14(12)15(23)21(7-5-2)16(20)24/h8-9,17H,4-7H2,1-3H3,(H,18,22)
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n/an/a 9n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced [3H]cAMP production aft...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50102286
PNG
(10-benzyl-3-furan-2-yl-10H-benzo[4,5]imidazo[2,1-c...)
Show SMILES O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccco1
Show InChI InChI=1S/C20H14N4O2/c25-19-18(17-11-6-12-26-17)21-22-20-23(13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)24(19)20/h1-12H,13H2
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n/an/a 10n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50186982
PNG
(6-(4-(4-(4-fluorobenzyl)piperazin-1-ylsulfonyl)phe...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H26FN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-5-9-20(10-6-18)36(34,35)31-13-11-30(12-14-31)16-17-3-7-19(26)8-4-17/h3-10,15,27H,11-14,16H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50190709
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
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n/an/a 10.1n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50268247
PNG
(8-(4-(4-Phenethylpiperazine-1-sulfonyl)phenyl)-1-p...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C26H30N6O4S/c1-2-13-32-25(33)22-24(29-26(32)34)28-23(27-22)20-8-10-21(11-9-20)37(35,36)31-17-15-30(16-18-31)14-12-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3,(H,27,28)(H,29,34)
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n/an/a 10.9n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50365310
PNG
(CHEMBL1955916)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Br)cc3[nH]2)no1
Show InChI InChI=1S/C22H22BrN7O4/c1-3-7-29-20-18(21(31)30(8-4-2)22(29)32)26-19(27-20)15-10-17(28-34-15)33-11-16-24-13-6-5-12(23)9-14(13)25-16/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 11n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced [3H]cAMP production aft...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50321523
PNG
(CHEMBL1171165 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12
Show InChI InChI=1S/C23H22FN5O3S/c1-4-29(14(2)30)18-8-9-19(32-3)20-21(18)33-23(26-20)27-22(31)16-11-25-28(13-16)12-15-6-5-7-17(24)10-15/h5-11,13H,4,12H2,1-3H3,(H,26,27,31)
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n/an/a 12n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50321526
PNG
(CHEMBL1171897 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C19H18FN3O3S/c1-4-23(11(2)24)14-9-10-15(26-3)16-17(14)27-19(21-16)22-18(25)12-5-7-13(20)8-6-12/h5-10H,4H2,1-3H3,(H,21,22,25)
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n/an/a 12n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50186974
PNG
(CHEMBL210969 | N-(1-(4-fluorobenzyl)piperidin-4-yl...)
Show SMILES CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C28H32FN5O4S/c1-3-33-25-17-24(30-26(25)27(35)34(4-2)28(33)36)20-7-11-23(12-8-20)39(37,38)31-22-13-15-32(16-14-22)18-19-5-9-21(29)10-6-19/h5-12,17,22,30-31H,3-4,13-16,18H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50186976
PNG
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C19H17N5O4S/c1-23-15-11-14(21-17(15)18(25)24(2)19(23)26)12-6-8-13(9-7-12)29(27,28)22-16-5-3-4-10-20-16/h3-11,21H,1-2H3,(H,20,22)
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n/an/a 12n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50321550
PNG
(CHEMBL1172442 | N1-(7-(N-ethylacetamido)-4-methoxy...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N(C)CCOC)sc12
Show InChI InChI=1S/C24H28N4O5S/c1-6-28(15(2)29)18-11-12-19(33-5)20-21(18)34-24(25-20)26-22(30)16-7-9-17(10-8-16)23(31)27(3)13-14-32-4/h7-12H,6,13-14H2,1-5H3,(H,25,26,30)
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n/an/a 13n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50310932
PNG
((+/-)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]...)
Show SMILES CC(Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1
Show InChI InChI=1S/C18H19N5OS/c1-12(13-5-4-7-19-11-13)20-18-21-14-6-10-25-16(14)15(22-18)17(24)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,21,22)
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n/an/a 13n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50186983
PNG
(6-(4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C28H31N5O6S/c1-3-10-33-23-16-22(29-26(23)27(34)30(2)28(33)35)20-5-7-21(8-6-20)40(36,37)32-13-11-31(12-14-32)17-19-4-9-24-25(15-19)39-18-38-24/h4-9,15-16,29H,3,10-14,17-18H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A2B


(Homo sapiens (Human))
BDBM50341189
PNG
(CHEMBL1760896 | trans-N-(7-(N-ethylacetamido)-4-me...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H29F3N4O5S2/c1-4-33(15(2)34)20-12-13-21(38-3)22-23(20)39-25(30-22)31-24(35)16-8-10-18(11-9-16)32-40(36,37)19-7-5-6-17(14-19)26(27,28)29/h5-7,12-14,16,18,32H,4,8-11H2,1-3H3,(H,30,31,35)/t16-,18-
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n/an/a 13n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins


Citation and Details
More data for this
Ligand-Target Pair
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