Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50000185 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242131
(CHEMBL4087158)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C21H17F3N6O2/c1-2-9-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)10-3-4-13-5-7-15(8-6-13)21(22,23)24/h5-8,11-12H,2,9-10H2,1H3,(H,26,27)(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242086
(CHEMBL4088514)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C24H23F3N6O2/c1-3-11-32-21-19(22(34)33(12-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)13-5-6-16-7-9-18(10-8-16)24(25,26)27/h7-10,14-15H,3-4,11-13H2,1-2H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242120
(CHEMBL4059779)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C21H17F3N6O3/c1-2-9-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)10-3-4-13-5-7-15(8-6-13)33-21(22,23)24/h5-8,11-12H,2,9-10H2,1H3,(H,26,27)(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242116
(CHEMBL4079273)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C20H17FN6O2/c1-2-9-27-19(28)16-18(25-20(27)29)24-17(23-16)14-11-22-26(12-14)10-3-4-13-5-7-15(21)8-6-13/h5-8,11-12H,2,9-10H2,1H3,(H,23,24)(H,25,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242058
(CHEMBL4070936)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C(O)=O)c1 Show InChI InChI=1S/C24H24N6O4/c1-3-10-29-21-19(22(31)30(11-4-2)24(29)34)26-20(27-21)18-14-25-28(15-18)12-6-8-16-7-5-9-17(13-16)23(32)33/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,26,27)(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced increase in cAMP accumulation in... |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242118
(CHEMBL4105001)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C21H17F3N6O2/c1-2-8-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)9-4-6-13-5-3-7-15(10-13)21(22,23)24/h3,5,7,10-12H,2,8-9H2,1H3,(H,26,27)(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242119
(CHEMBL4081707)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1 Show InChI InChI=1S/C21H17F3N6O3/c1-2-8-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)9-4-6-13-5-3-7-15(10-13)33-21(22,23)24/h3,5,7,10-12H,2,8-9H2,1H3,(H,26,27)(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242133
(CHEMBL4097296)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(F)c2)c1 Show InChI InChI=1S/C20H17FN6O2/c1-2-8-27-19(28)16-18(25-20(27)29)24-17(23-16)14-11-22-26(12-14)9-4-6-13-5-3-7-15(21)10-13/h3,5,7,10-12H,2,8-9H2,1H3,(H,23,24)(H,25,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242134
(CHEMBL4075650)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(cc2)C(=O)OCC)c1 Show InChI InChI=1S/C26H28N6O4/c1-4-13-31-23-21(24(33)32(14-5-2)26(31)35)28-22(29-23)20-16-27-30(17-20)15-7-8-18-9-11-19(12-10-18)25(34)36-6-3/h9-12,16-17H,4-6,13-15H2,1-3H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242059
(CHEMBL4076435)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1 Show InChI InChI=1S/C24H23F3N6O3/c1-3-10-32-21-19(22(34)33(11-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)12-6-8-16-7-5-9-18(13-16)36-24(25,26)27/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242084
(CHEMBL4104876)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C#N)c1 Show InChI InChI=1S/C24H23N7O2/c1-3-10-30-22-20(23(32)31(11-4-2)24(30)33)27-21(28-22)19-15-26-29(16-19)12-6-9-17-7-5-8-18(13-17)14-25/h5,7-8,13,15-16H,3-4,10-12H2,1-2H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242087
(CHEMBL4078183)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C24H23F3N6O2/c1-3-10-32-21-19(22(34)33(11-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)12-6-8-16-7-5-9-18(13-16)24(25,26)27/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242125
(CHEMBL4077090)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(C)c2)c1 Show InChI InChI=1S/C24H26N6O2/c1-4-11-29-22-20(23(31)30(12-5-2)24(29)32)26-21(27-22)19-15-25-28(16-19)13-7-10-18-9-6-8-17(3)14-18/h6,8-9,14-16H,4-5,11-13H2,1-3H3,(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242058
(CHEMBL4070936)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C(O)=O)c1 Show InChI InChI=1S/C24H24N6O4/c1-3-10-29-21-19(22(31)30(11-4-2)24(29)34)26-20(27-21)18-14-25-28(15-18)12-6-8-16-7-5-9-17(13-16)23(32)33/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,26,27)(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242085
(CHEMBL4080646)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C24H23F3N6O3/c1-3-11-32-21-19(22(34)33(12-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)13-5-6-16-7-9-18(10-8-16)36-24(25,26)27/h7-10,14-15H,3-4,11-13H2,1-2H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242099
(CHEMBL4086077)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C23H23FN6O2/c1-3-11-29-21-19(22(31)30(12-4-2)23(29)32)26-20(27-21)17-14-25-28(15-17)13-5-6-16-7-9-18(24)10-8-16/h7-10,14-15H,3-4,11-13H2,1-2H3,(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242075
(CHEMBL4103585)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(OC)c2)c1 Show InChI InChI=1S/C24H26N6O3/c1-4-11-29-22-20(23(31)30(12-5-2)24(29)32)26-21(27-22)18-15-25-28(16-18)13-7-9-17-8-6-10-19(14-17)33-3/h6,8,10,14-16H,4-5,11-13H2,1-3H3,(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242082
(CHEMBL4066128)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(C)cc2)c1 Show InChI InChI=1S/C24H26N6O2/c1-4-12-29-22-20(23(31)30(13-5-2)24(29)32)26-21(27-22)19-15-25-28(16-19)14-6-7-18-10-8-17(3)9-11-18/h8-11,15-16H,4-5,12-14H2,1-3H3,(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242100
(CHEMBL4103997)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(F)c2)c1 Show InChI InChI=1S/C23H23FN6O2/c1-3-10-29-21-19(22(31)30(11-4-2)23(29)32)26-20(27-21)17-14-25-28(15-17)12-6-8-16-7-5-9-18(24)13-16/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242064
(CHEMBL4096746)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C22H21FN6O2/c1-3-11-29-21(30)18-20(28(4-2)22(29)31)26-19(25-18)16-13-24-27(14-16)12-5-6-15-7-9-17(23)10-8-15/h7-10,13-14H,3-4,11-12H2,1-2H3,(H,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242072
(CHEMBL4059836)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(F)c2)c1 Show InChI InChI=1S/C22H21FN6O2/c1-3-10-29-21(30)18-20(28(4-2)22(29)31)26-19(25-18)16-13-24-27(14-16)11-6-8-15-7-5-9-17(23)12-15/h5,7,9,12-14H,3-4,10-11H2,1-2H3,(H,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242073
(CHEMBL4069730)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccccc2C(=O)OCC)c1 Show InChI InChI=1S/C26H28N6O4/c1-4-13-31-23-21(24(33)32(14-5-2)26(31)35)28-22(29-23)19-16-27-30(17-19)15-9-11-18-10-7-8-12-20(18)25(34)36-6-3/h7-8,10,12,16-17H,4-6,13-15H2,1-3H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242057
(CHEMBL4067401)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1 Show InChI InChI=1S/C23H21F3N6O3/c1-3-10-32-21(33)18-20(31(4-2)22(32)34)29-19(28-18)16-13-27-30(14-16)11-6-8-15-7-5-9-17(12-15)35-23(24,25)26/h5,7,9,12-14H,3-4,10-11H2,1-2H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced increase in cAMP accumulation in... |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242059
(CHEMBL4076435)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1 Show InChI InChI=1S/C24H23F3N6O3/c1-3-10-32-21-19(22(34)33(11-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)12-6-8-16-7-5-9-18(13-16)36-24(25,26)27/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced increase in cAMP accumulation in... |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242062
(CHEMBL4094840)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C23H21F3N6O3/c1-3-11-32-21(33)18-20(31(4-2)22(32)34)29-19(28-18)16-13-27-30(14-16)12-5-6-15-7-9-17(10-8-15)35-23(24,25)26/h7-10,13-14H,3-4,11-12H2,1-2H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242080
(CHEMBL4063759)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H33F3N8O2/c1-3-10-39-26-24(27(41)40(11-4-2)28(39)42)34-25(35-26)21-19-33-38(20-21)13-6-5-12-36-14-16-37(17-15-36)23-9-7-8-22(18-23)29(30,31)32/h7-9,18-20H,3-4,10-17H2,1-2H3,(H,34,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242063
(CHEMBL4069518)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C23H21F3N6O2/c1-3-11-32-21(33)18-20(31(4-2)22(32)34)29-19(28-18)16-13-27-30(14-16)12-5-6-15-7-9-17(10-8-15)23(24,25)26/h7-10,13-14H,3-4,11-12H2,1-2H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242074
(CHEMBL4101147)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccccc2C(=O)OC)c1 Show InChI InChI=1S/C25H26N6O4/c1-4-12-30-22-20(23(32)31(13-5-2)25(30)34)27-21(28-22)18-15-26-29(16-18)14-8-10-17-9-6-7-11-19(17)24(33)35-3/h6-7,9,11,15-16H,4-5,12-14H2,1-3H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242057
(CHEMBL4067401)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1 Show InChI InChI=1S/C23H21F3N6O3/c1-3-10-32-21(33)18-20(31(4-2)22(32)34)29-19(28-18)16-13-27-30(14-16)11-6-8-15-7-5-9-17(12-15)35-23(24,25)26/h5,7,9,12-14H,3-4,10-11H2,1-2H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242083
(CHEMBL4092863)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(cc2)C#N)c1 Show InChI InChI=1S/C24H23N7O2/c1-3-11-30-22-20(23(32)31(12-4-2)24(30)33)27-21(28-22)19-15-26-29(16-19)13-5-6-17-7-9-18(14-25)10-8-17/h7-10,15-16H,3-4,11-13H2,1-2H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242102
(CHEMBL4092291)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC#Cc2ccc(F)cc2)no1 Show InChI InChI=1S/C23H22FN5O4/c1-3-11-28-21-19(22(30)29(12-4-2)23(28)31)25-20(26-21)17-14-18(27-33-17)32-13-5-6-15-7-9-16(24)10-8-15/h7-10,14H,3-4,11-13H2,1-2H3,(H,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242136
(CHEMBL4065780)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C24H24N6O4/c1-3-11-29-21-19(22(31)30(12-4-2)24(29)34)26-20(27-21)18-14-25-28(15-18)13-5-6-16-7-9-17(10-8-16)23(32)33/h7-10,14-15H,3-4,11-13H2,1-2H3,(H,26,27)(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242122
(CHEMBL4090649)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CC)c1 Show InChI InChI=1S/C18H22N6O2/c1-4-7-10-22-12-13(11-19-22)15-20-14-16(21-15)23(8-5-2)18(26)24(9-6-3)17(14)25/h11-12H,5-6,8-10H2,1-3H3,(H,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242126
(CHEMBL4096238)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C24H23F3N6O2/c1-3-11-32-21-19(22(34)33(12-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)13-7-9-16-8-5-6-10-18(16)24(25,26)27/h5-6,8,10,14-15H,3-4,11-13H2,1-2H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242121
(CHEMBL4098369)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(c2)C(O)=O)c1 Show InChI InChI=1S/C21H18N6O4/c1-2-8-27-19(28)16-18(25-21(27)31)24-17(23-16)15-11-22-26(12-15)9-4-6-13-5-3-7-14(10-13)20(29)30/h3,5,7,10-12H,2,8-9H2,1H3,(H,23,24)(H,25,31)(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242114
(CHEMBL4077765)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC#Cc2cccc(F)c2)no1 Show InChI InChI=1S/C23H22FN5O4/c1-3-10-28-21-19(22(30)29(11-4-2)23(28)31)25-20(26-21)17-14-18(27-33-17)32-12-6-8-15-7-5-9-16(24)13-15/h5,7,9,13-14H,3-4,10-12H2,1-2H3,(H,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242132
(CHEMBL4071331)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#C)c1 Show InChI InChI=1S/C17H20N6O2/c1-4-7-21-11-12(10-18-21)14-19-13-15(20-14)22(8-5-2)17(25)23(9-6-3)16(13)24/h1,10-11H,5-9H2,2-3H3,(H,19,20) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242081
(CHEMBL4085353)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CC2(O)CCCC2)c1 Show InChI InChI=1S/C22H28N6O3/c1-3-11-27-19-17(20(29)28(12-4-2)21(27)30)24-18(25-19)16-14-23-26(15-16)13-7-10-22(31)8-5-6-9-22/h14-15,31H,3-6,8-9,11-13H2,1-2H3,(H,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242079
(CHEMBL4093116)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN2CCN(C)CC2)c1 Show InChI InChI=1S/C23H32N8O2/c1-4-8-30-21-19(22(32)31(9-5-2)23(30)33)25-20(26-21)18-16-24-29(17-18)11-7-6-10-28-14-12-27(3)13-15-28/h16-17H,4-5,8-15H2,1-3H3,(H,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242124
(CHEMBL4075201)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CC2(O)CCCCC2)c1 Show InChI InChI=1S/C23H30N6O3/c1-3-12-28-20-18(21(30)29(13-4-2)22(28)31)25-19(26-20)17-15-24-27(16-17)14-8-11-23(32)9-6-5-7-10-23/h15-16,32H,3-7,9-10,12-14H2,1-2H3,(H,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242077
(CHEMBL4082841)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN2CCCC2)c1 Show InChI InChI=1S/C22H29N7O2/c1-3-9-28-20-18(21(30)29(10-4-2)22(28)31)24-19(25-20)17-15-23-27(16-17)14-8-7-13-26-11-5-6-12-26/h15-16H,3-6,9-14H2,1-2H3,(H,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242060
(CHEMBL4102581)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C23H22N6O4/c1-3-11-29-21(30)18-20(28(4-2)23(29)33)26-19(25-18)17-13-24-27(14-17)12-5-6-15-7-9-16(10-8-15)22(31)32/h7-10,13-14H,3-4,11-12H2,1-2H3,(H,25,26)(H,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242078
(CHEMBL4100823)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN2CCCCC2)c1 Show InChI InChI=1S/C23H31N7O2/c1-3-10-29-21-19(22(31)30(11-4-2)23(29)32)25-20(26-21)18-16-24-28(17-18)15-9-8-14-27-12-6-5-7-13-27/h16-17H,3-7,10-15H2,1-2H3,(H,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242061
(CHEMBL4078316)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(c2)C(O)=O)c1 Show InChI InChI=1S/C23H22N6O4/c1-3-10-29-21(30)18-20(28(4-2)23(29)33)26-19(25-18)17-13-24-27(14-17)11-6-8-15-7-5-9-16(12-15)22(31)32/h5,7,9,12-14H,3-4,10-11H2,1-2H3,(H,25,26)(H,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242076
(CHEMBL4062691)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN(CC)CC)c1 Show InChI InChI=1S/C22H31N7O2/c1-5-11-28-20-18(21(30)29(12-6-2)22(28)31)24-19(25-20)17-15-23-27(16-17)14-10-9-13-26(7-3)8-4/h15-16H,5-8,11-14H2,1-4H3,(H,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242123
(CHEMBL4072350)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN2CCOCC2)c1 Show InChI InChI=1S/C22H29N7O3/c1-3-7-28-20-18(21(30)29(8-4-2)22(28)31)24-19(25-20)17-15-23-27(16-17)10-6-5-9-26-11-13-32-14-12-26/h15-16H,3-4,7-14H2,1-2H3,(H,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242101
(CHEMBL4102500)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC#Cc2cccc(OC(F)(F)F)c2)no1 Show InChI InChI=1S/C24H22F3N5O5/c1-3-10-31-21-19(22(33)32(11-4-2)23(31)34)28-20(29-21)17-14-18(30-37-17)35-12-6-8-15-7-5-9-16(13-15)36-24(25,26)27/h5,7,9,13-14H,3-4,10-12H2,1-2H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242127
(CHEMBL4064605)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC#Cc2cccc(c2)C(F)(F)F)no1 Show InChI InChI=1S/C24H22F3N5O4/c1-3-10-31-21-19(22(33)32(11-4-2)23(31)34)28-20(29-21)17-14-18(30-36-17)35-12-6-8-15-7-5-9-16(13-15)24(25,26)27/h5,7,9,13-14H,3-4,10-12H2,1-2H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242130
(CHEMBL4067301)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC#Cc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C27H25F3N4O4/c1-3-15-33-24-22(25(35)34(16-4-2)26(33)36)31-23(32-24)19-9-13-20(14-10-19)37-17-5-6-18-7-11-21(12-8-18)38-27(28,29)30/h7-14H,3-4,15-17H2,1-2H3,(H,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242115
(CHEMBL4069118)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC#Cc2cccc(F)c2)cc1 Show InChI InChI=1S/C26H25FN4O3/c1-3-14-30-24-22(25(32)31(15-4-2)26(30)33)28-23(29-24)19-10-12-21(13-11-19)34-16-6-8-18-7-5-9-20(27)17-18/h5,7,9-13,17H,3-4,14-16H2,1-2H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Search and Browse
