BindingDB logo
myBDB logout

PubMed code 30576906

Compile data set for download or QSAR
Found 92 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50086170
PNG
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 2n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human A2B adenosine receptor

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50336977
PNG
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 24n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human A2B adenosine receptor

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cell membranes after 120 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in HEK293 cell membranes after 120 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
 1.00E+4n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human A2B adenosine receptor

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531447
PNG
(CHEMBL4569909)
Show SMILES COCCn1c2sc(Cc3nc[nH]c3C)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C23H26N4O3S/c1-15-19(13-18-16(2)24-14-25-18)31-22-20(15)21(28)26(23(29)27(22)11-12-30-3)10-9-17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3,(H,24,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531478
PNG
(CHEMBL4576817)
Show SMILES COCCn1c2sc(Cc3c[nH]c(C)n3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C23H26N4O3S/c1-15-19(13-18-14-24-16(2)25-18)31-22-20(15)21(28)26(23(29)27(22)11-12-30-3)10-9-17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3,(H,24,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531452
PNG
(CHEMBL4521489)
Show SMILES COCCn1c2sc(Cn3ccnc3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C22H24N4O3S/c1-16-18(14-24-11-9-23-15-24)30-21-19(16)20(27)25(22(28)26(21)12-13-29-2)10-8-17-6-4-3-5-7-17/h3-7,9,11,15H,8,10,12-14H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531434
PNG
(CHEMBL4458223)
Show SMILES COCCn1c2sc(C(O)C3CC3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C22H26N2O4S/c1-14-17-20(26)23(11-10-15-6-4-3-5-7-15)22(27)24(12-13-28-2)21(17)29-19(14)18(25)16-8-9-16/h3-7,16,18,25H,8-13H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531477
PNG
(CHEMBL4448231)
Show SMILES COCCn1c2sc(C(O)c3ccccc3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C25H26N2O4S/c1-17-20-23(29)26(14-13-18-9-5-3-6-10-18)25(30)27(15-16-31-2)24(20)32-22(17)21(28)19-11-7-4-8-12-19/h3-12,21,28H,13-16H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531450
PNG
(CHEMBL4458042)
Show SMILES CCN(CC(C)(C)O)C(=O)c1sc2n(CCC(F)(F)F)c(=O)n(CC)c(=O)c2c1C
Show InChI InChI=1S/C19H26F3N3O4S/c1-6-23(10-18(4,5)29)15(27)13-11(3)12-14(26)24(7-2)17(28)25(16(12)30-13)9-8-19(20,21)22/h29H,6-10H2,1-5H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531457
PNG
(CHEMBL4449139)
Show SMILES CCN(CC)C(=O)c1sc2n(CCOC)c(=O)n(CCc3ccccc3)c(=O)c2c1C
Show InChI InChI=1S/C23H29N3O4S/c1-5-24(6-2)21(28)19-16(3)18-20(27)25(13-12-17-10-8-7-9-11-17)23(29)26(14-15-30-4)22(18)31-19/h7-11H,5-6,12-15H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531451
PNG
(CHEMBL4462879)
Show SMILES CCN(CCO)C(=O)c1sc2n(CCC(F)(F)F)c(=O)n(CC)c(=O)c2c1C
Show InChI InChI=1S/C17H22F3N3O4S/c1-4-21(8-9-24)14(26)12-10(3)11-13(25)22(5-2)16(27)23(15(11)28-12)7-6-17(18,19)20/h24H,4-9H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531443
PNG
(CHEMBL4589448)
Show SMILES Cc1csc2n(CCC(F)(F)F)c(=O)n(CCc3cccnc3)c(=O)c12
Show InChI InChI=1S/C17H16F3N3O2S/c1-11-10-26-15-13(11)14(24)22(7-4-12-3-2-6-21-9-12)16(25)23(15)8-5-17(18,19)20/h2-3,6,9-10H,4-5,7-8H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531437
PNG
(CHEMBL4474572)
Show SMILES Cc1csc2n(CCC(F)(F)F)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C18H17F3N2O2S/c1-12-11-26-16-14(12)15(24)22(9-7-13-5-3-2-4-6-13)17(25)23(16)10-8-18(19,20)21/h2-6,11H,7-10H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531444
PNG
(CHEMBL4564912)
Show SMILES Cc1csc2n(CCC(F)(F)F)c(=O)n(CCc3ccccc3F)c(=O)c12
Show InChI InChI=1S/C18H16F4N2O2S/c1-11-10-27-16-14(11)15(25)23(8-6-12-4-2-3-5-13(12)19)17(26)24(16)9-7-18(20,21)22/h2-5,10H,6-9H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531463
PNG
(CHEMBL4516075)
Show SMILES COCCn1c2sc3CCCc3c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C20H22N2O3S/c1-25-13-12-22-19-17(15-8-5-9-16(15)26-19)18(23)21(20(22)24)11-10-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531453
PNG
(CHEMBL4540250)
Show SMILES CCN(CC)C(=O)c1sc2n(CCC(F)(F)F)c(=O)n(CCOC)c(=O)c2c1C
Show InChI InChI=1S/C18H24F3N3O4S/c1-5-22(6-2)15(26)13-11(3)12-14(25)23(9-10-28-4)17(27)24(16(12)29-13)8-7-18(19,20)21/h5-10H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531438
PNG
(CHEMBL4458469)
Show SMILES Cc1csc2n(Cc3ncc[nH]3)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C19H18N4O2S/c1-13-12-26-18-16(13)17(24)22(10-7-14-5-3-2-4-6-14)19(25)23(18)11-15-20-8-9-21-15/h2-6,8-9,12H,7,10-11H2,1H3,(H,20,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531464
PNG
(CHEMBL4540909)
Show SMILES Cc1csc2n(CC#N)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C17H15N3O2S/c1-12-11-23-16-14(12)15(21)19(17(22)20(16)10-8-18)9-7-13-5-3-2-4-6-13/h2-6,11H,7,9-10H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531439
PNG
(CHEMBL4442438)
Show SMILES Cc1csc2n(CCF)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C17H17FN2O2S/c1-12-11-23-16-14(12)15(21)19(17(22)20(16)10-8-18)9-7-13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 135n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531465
PNG
(CHEMBL4441343)
Show SMILES Cc1csc2n(Cc3nccn3C)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C20H20N4O2S/c1-14-13-27-19-17(14)18(25)23(10-8-15-6-4-3-5-7-15)20(26)24(19)12-16-21-9-11-22(16)2/h3-7,9,11,13H,8,10,12H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 145n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531456
PNG
(CHEMBL4457476)
Show SMILES COCCn1c2sc(CO)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C19H22N2O4S/c1-13-15(12-22)26-18-16(13)17(23)20(19(24)21(18)10-11-25-2)9-8-14-6-4-3-5-7-14/h3-7,22H,8-12H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531476
PNG
(CHEMBL4538262)
Show SMILES COCCn1c2sc(c(C)c2c(=O)n(CCc2ccccc2)c1=O)C(C)(O)C1CC1
Show InChI InChI=1S/C23H28N2O4S/c1-15-18-20(26)24(12-11-16-7-5-4-6-8-16)22(27)25(13-14-29-3)21(18)30-19(15)23(2,28)17-9-10-17/h4-8,17,28H,9-14H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531416
PNG
(CHEMBL4451942)
Show SMILES Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C20H22N2O3S/c1-14-13-26-19-17(14)18(23)21(10-9-15-6-3-2-4-7-15)20(24)22(19)12-16-8-5-11-25-16/h2-4,6-7,13,16H,5,8-12H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531416
PNG
(CHEMBL4451942)
Show SMILES Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C20H22N2O3S/c1-14-13-26-19-17(14)18(23)21(10-9-15-6-3-2-4-7-15)20(24)22(19)12-16-8-5-11-25-16/h2-4,6-7,13,16H,5,8-12H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531420
PNG
(CHEMBL4553423)
Show SMILES COCCn1c2sc(C(=O)c3cn(C)cn3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C23H24N4O4S/c1-15-18-21(29)26(10-9-16-7-5-4-6-8-16)23(30)27(11-12-31-3)22(18)32-20(15)19(28)17-13-25(2)14-24-17/h4-8,13-14H,9-12H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531471
PNG
(CHEMBL4459477)
Show SMILES COCCn1c2sc(C)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C19H22N2O3S/c1-13-14(2)25-18-16(13)17(22)20(19(23)21(18)11-12-24-3)10-9-15-7-5-4-6-8-15/h4-8H,9-12H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531449
PNG
(CHEMBL4522738)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CC(O)C3)c(C)c2c1=O
Show InChI InChI=1S/C16H18F3N3O4S/c1-3-21-12(24)10-8(2)11(13(25)20-6-9(23)7-20)27-14(10)22(15(21)26)5-4-16(17,18)19/h9,23H,3-7H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531433
PNG
(CHEMBL4450633)
Show SMILES COCCn1c2sc(C(=O)N3CC(O)C3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N3O5S/c1-14-17-19(27)24(9-8-15-6-4-3-5-7-15)22(29)25(10-11-30-2)21(17)31-18(14)20(28)23-12-16(26)13-23/h3-7,16,26H,8-13H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531448
PNG
(CHEMBL4452532)
Show SMILES COCCn1c2sc(CN3CCCC3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C23H29N3O3S/c1-17-19(16-24-11-6-7-12-24)30-22-20(17)21(27)25(23(28)26(22)14-15-29-2)13-10-18-8-4-3-5-9-18/h3-5,8-9H,6-7,10-16H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531423
PNG
(CHEMBL4540558)
Show SMILES COCCn1c2scc(C)c2c(=O)n(CCc2ccccc2F)c1=O
Show InChI InChI=1S/C18H19FN2O3S/c1-12-11-25-17-15(12)16(22)20(18(23)21(17)9-10-24-2)8-7-13-5-3-4-6-14(13)19/h3-6,11H,7-10H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531454
PNG
(CHEMBL4440686)
Show SMILES CCn1c(=O)n(CCOC)c2sc3CCCc3c2c1=O
Show InChI InChI=1S/C14H18N2O3S/c1-3-15-12(17)11-9-5-4-6-10(9)20-13(11)16(14(15)18)7-8-19-2/h3-8H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531430
PNG
(CHEMBL4452799)
Show SMILES COCCn1c2sc(COC3CCCC3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C24H30N2O4S/c1-17-20(16-30-19-10-6-7-11-19)31-23-21(17)22(27)25(24(28)26(23)14-15-29-2)13-12-18-8-4-3-5-9-18/h3-5,8-9,19H,6-7,10-16H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531460
PNG
(CHEMBL4560841)
Show SMILES COCCn1c2sc(C(=O)N3CCCC3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C23H27N3O4S/c1-16-18-20(27)25(13-10-17-8-4-3-5-9-17)23(29)26(14-15-30-2)22(18)31-19(16)21(28)24-11-6-7-12-24/h3-5,8-9H,6-7,10-15H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531418
PNG
(CHEMBL4537687)
Show SMILES COCCn1c2scc(C)c2c(=O)n(CCc2cccnc2)c1=O
Show InChI InChI=1S/C17H19N3O3S/c1-12-11-24-16-14(12)15(21)19(17(22)20(16)8-9-23-2)7-5-13-4-3-6-18-10-13/h3-4,6,10-11H,5,7-9H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531440
PNG
(CHEMBL4528081)
Show SMILES COCCn1c2scc(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C18H20N2O3S/c1-13-12-24-17-15(13)16(21)19(18(22)20(17)10-11-23-2)9-8-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531432
PNG
(CHEMBL4536104)
Show SMILES COCCn1c2sc(C(=O)N(C)OC)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C21H25N3O5S/c1-14-16-18(25)23(11-10-15-8-6-5-7-9-15)21(27)24(12-13-28-3)20(16)30-17(14)19(26)22(2)29-4/h5-9H,10-13H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531470
PNG
(CHEMBL4453228)
Show SMILES CCn1c(=O)n(CCOC)c2sc3CCCCc3c2c1=O
Show InChI InChI=1S/C15H20N2O3S/c1-3-16-13(18)12-10-6-4-5-7-11(10)21-14(12)17(15(16)19)8-9-20-2/h3-9H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Mus musculus)		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531417
PNG
(CHEMBL4446433)
Show SMILES COCCn1c2sc(C(N)=O)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C19H21N3O4S/c1-12-14-17(24)21(9-8-13-6-4-3-5-7-13)19(25)22(10-11-26-2)18(14)27-15(12)16(20)23/h3-7H,8-11H2,1-2H3,(H2,20,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531467
PNG
(CHEMBL4569387)
Show SMILES CCn1c(=O)n(CCOC)c2sc(C)c(C)c2c1=O
Show InChI InChI=1S/C13H18N2O3S/c1-5-14-11(16)10-8(2)9(3)19-12(10)15(13(14)17)6-7-18-4/h5-7H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531472
PNG
(CHEMBL4475483)
Show SMILES COCCn1c2scc(C)c2c(=O)n(CC(F)(F)c2ccccc2)c1=O
Show InChI InChI=1S/C18H18F2N2O3S/c1-12-10-26-16-14(12)15(23)22(17(24)21(16)8-9-25-2)11-18(19,20)13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Mus musculus)		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531441
PNG
(CHEMBL4543255)
Show SMILES Cc1csc2[nH]c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C15H14N2O2S/c1-10-9-20-13-12(10)14(18)17(15(19)16-13)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,19)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531455
PNG
(CHEMBL4475461)
Show SMILES COCCn1c2sc3CCCCc3c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C21H24N2O3S/c1-26-14-13-23-20-18(16-9-5-6-10-17(16)27-20)19(24)22(21(23)25)12-11-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531436
PNG
(CHEMBL4541543)
Show SMILES COCCn1c2sc(Cc3ccccc3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C25H26N2O3S/c1-18-21(17-20-11-7-4-8-12-20)31-24-22(18)23(28)26(25(29)27(24)15-16-30-2)14-13-19-9-5-3-6-10-19/h3-12H,13-17H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531424
PNG
(CHEMBL4585015)
Show SMILES CCn1c(=O)n(CCOC)c2scc(C)c2c1=O
Show InChI InChI=1S/C12H16N2O3S/c1-4-13-10(15)9-8(2)7-18-11(9)14(12(13)16)5-6-17-3/h7H,4-6H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 640n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 750n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531468
PNG
(CHEMBL4544040)
Show SMILES COCCn1c2sc(CN3CCOCC3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C23H29N3O4S/c1-17-19(16-24-10-14-30-15-11-24)31-22-20(17)21(27)25(23(28)26(22)12-13-29-2)9-8-18-6-4-3-5-7-18/h3-7H,8-16H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531458
PNG
(CHEMBL4518356)
Show SMILES COCCn1c2sc(C(=O)C3CC3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C22H24N2O4S/c1-14-17-20(26)23(11-10-15-6-4-3-5-7-15)22(27)24(12-13-28-2)21(17)29-19(14)18(25)16-8-9-16/h3-7,16H,8-13H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 790n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 820n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531442
PNG
(CHEMBL4576194)
Show SMILES Cc1csc2n(Cc3nc4cc(ccc4o3)S(N)(=O)=O)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C23H20N4O5S2/c1-14-13-33-22-20(14)21(28)26(10-9-15-5-3-2-4-6-15)23(29)27(22)12-19-25-17-11-16(34(24,30)31)7-8-18(17)32-19/h2-8,11,13H,9-10,12H2,1H3,(H2,24,30,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531461
PNG
(CHEMBL4589654)
Show SMILES COCCn1c2sc(c(C)c2c(=O)n(CCc2ccccc2)c1=O)C(C)(O)c1cncn1C
Show InChI InChI=1S/C24H28N4O4S/c1-16-19-21(29)27(11-10-17-8-6-5-7-9-17)23(30)28(12-13-32-4)22(19)33-20(16)24(2,31)18-14-25-15-26(18)3/h5-9,14-15,31H,10-13H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531415
PNG
(CHEMBL4457584)
Show SMILES Cc1csc2n(Cc3cnc[nH]3)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C19H18N4O2S/c1-13-11-26-18-16(13)17(24)22(8-7-14-5-3-2-4-6-14)19(25)23(18)10-15-9-20-12-21-15/h2-6,9,11-12H,7-8,10H2,1H3,(H,20,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human A1 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531425
PNG
(CHEMBL4582620)
Show SMILES COCCn1c2scc(C)c2c(=O)n(CC2(CC2)c2ccccc2)c1=O
Show InChI InChI=1S/C20H22N2O3S/c1-14-12-26-18-16(14)17(23)22(19(24)21(18)10-11-25-2)13-20(8-9-20)15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531459
PNG
(CHEMBL4450782)
Show SMILES COCCn1c2scc(C)c2c(=O)n(CC(C)(C)C)c1=O
Show InChI InChI=1S/C15H22N2O3S/c1-10-8-21-13-11(10)12(18)17(9-15(2,3)4)14(19)16(13)6-7-20-5/h8H,6-7,9H2,1-5H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531475
PNG
(CHEMBL4469697)
Show SMILES CCOC(=O)c1sc2n(CCOC)c(=O)n(CCc3ccccc3)c(=O)c2c1C
Show InChI InChI=1S/C21H24N2O5S/c1-4-28-20(25)17-14(2)16-18(24)22(11-10-15-8-6-5-7-9-15)21(26)23(12-13-27-3)19(16)29-17/h5-9H,4,10-13H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531466
PNG
(CHEMBL4453664)
Show SMILES Cc1csc2n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C23H23N3O4S2/c1-16-15-31-22-20(16)21(27)25(13-11-17-5-3-2-4-6-17)23(28)26(22)14-12-18-7-9-19(10-8-18)32(24,29)30/h2-10,15H,11-14H2,1H3,(H2,24,29,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531431
PNG
(CHEMBL4443243)
Show SMILES COCCn1c2sc(C(O)=O)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C19H20N2O5S/c1-12-14-16(22)20(9-8-13-6-4-3-5-7-13)19(25)21(10-11-26-2)17(14)27-15(12)18(23)24/h3-7H,8-11H2,1-2H3,(H,23,24)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531445
PNG
(CHEMBL4585480)
Show SMILES COCCn1c2sc(C(=O)c3ccccc3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C25H24N2O4S/c1-17-20-23(29)26(14-13-18-9-5-3-6-10-18)25(30)27(15-16-31-2)24(20)32-22(17)21(28)19-11-7-4-8-12-19/h3-12H,13-16H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531446
PNG
(CHEMBL4473551)
Show SMILES COCCn1c2sc(c(C)c2c(=O)n(CCc2ccccc2)c1=O)C(F)(F)c1ccccc1
Show InChI InChI=1S/C25H24F2N2O3S/c1-17-20-22(30)28(14-13-18-9-5-3-6-10-18)24(31)29(15-16-32-2)23(20)33-21(17)25(26,27)19-11-7-4-8-12-19/h3-12H,13-16H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531474
PNG
(CHEMBL4444370)
Show SMILES COCCn1c2sc(Cl)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C18H19ClN2O3S/c1-12-14-16(22)20(9-8-13-6-4-3-5-7-13)18(23)21(10-11-24-2)17(14)25-15(12)19/h3-7H,8-11H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531421
PNG
(CHEMBL4517977)
Show SMILES Cc1csc2n(Cc3nc[nH]c3C)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C20H20N4O2S/c1-13-11-27-19-17(13)18(25)23(9-8-15-6-4-3-5-7-15)20(26)24(19)10-16-14(2)21-12-22-16/h3-7,11-12H,8-10H2,1-2H3,(H,21,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531429
PNG
(CHEMBL4437132)
Show SMILES COCCn1c2sccc2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C17H18N2O3S/c1-22-11-10-19-16-14(8-12-23-16)15(20)18(17(19)21)9-7-13-5-3-2-4-6-13/h2-6,8,12H,7,9-11H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531435
PNG
(CHEMBL4448896)
Show SMILES COCCn1c2sc(c(C)c2c(=O)n(CCc2ccccc2)c1=O)-c1ccccc1
Show InChI InChI=1S/C24H24N2O3S/c1-17-20-22(27)25(14-13-18-9-5-3-6-10-18)24(28)26(15-16-29-2)23(20)30-21(17)19-11-7-4-8-12-19/h3-12H,13-16H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531426
PNG
(CHEMBL4562969)
Show SMILES [#6]-[#8]-[#6]-[#6]-n1c2scc(-[#6])c2c(=O)n(-[#6]\[#6]=[#6](\F)F)c1=O
Show InChI InChI=1S/C13H14F2N2O3S/c1-8-7-21-12-10(8)11(18)16(4-3-9(14)15)13(19)17(12)5-6-20-2/h3,7H,4-6H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50531416
PNG
(CHEMBL4451942)
Show SMILES Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C20H22N2O3S/c1-14-13-26-19-17(14)18(23)21(10-9-15-6-3-2-4-7-15)20(24)22(19)12-16-8-5-11-25-16/h2-4,6-7,13,16H,5,8-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Mus musculus)		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.70E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse A1 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Mus musculus)		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.70E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse A3 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.70E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human A3 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50531416
PNG
(CHEMBL4451942)
Show SMILES Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C20H22N2O3S/c1-14-13-26-19-17(14)18(23)21(10-9-15-6-3-2-4-7-15)20(24)22(19)12-16-8-5-11-25-16/h2-4,6-7,13,16H,5,8-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50531416
PNG
(CHEMBL4451942)
Show SMILES Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C20H22N2O3S/c1-14-13-26-19-17(14)18(23)21(10-9-15-6-3-2-4-7-15)20(24)22(19)12-16-8-5-11-25-16/h2-4,6-7,13,16H,5,8-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531473
PNG
(CHEMBL4455960)
Show SMILES COCCn1c2scc(C)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C10H12N2O3S/c1-6-5-16-9-7(6)8(13)11-10(14)12(9)3-4-15-2/h5H,3-4H2,1-2H3,(H,11,13,14)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531462
PNG
(CHEMBL4439247)
Show SMILES Cc1csc2n(CC(=O)Nc3cc(Cl)ccc3C(O)=O)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C24H20ClN3O5S/c1-14-13-34-22-20(14)21(30)27(10-9-15-5-3-2-4-6-15)24(33)28(22)12-19(29)26-18-11-16(25)7-8-17(18)23(31)32/h2-8,11,13H,9-10,12H2,1H3,(H,26,29)(H,31,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531469
PNG
(CHEMBL4457589)
Show SMILES CCN(CC)C(=O)c1sc2n(C)c(=O)n(C)c(=O)c2c1N
Show InChI InChI=1S/C13H18N4O3S/c1-5-17(6-2)11(19)9-8(14)7-10(18)15(3)13(20)16(4)12(7)21-9/h5-6,14H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531428
PNG
(CHEMBL4475104)
Show SMILES COCCn1c2scc(C)c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C17H18N2O3S/c1-12-11-23-16-14(12)15(20)19(10-13-6-4-3-5-7-13)17(21)18(16)8-9-22-2/h3-7,11H,8-10H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531419
PNG
(CHEMBL4445135)
Show SMILES COCCn1c2scc(C)c2c(=O)n(CCN2CCS(=O)(=O)CC2)c1=O
Show InChI InChI=1S/C16H23N3O5S2/c1-12-11-25-15-13(12)14(20)18(16(21)19(15)5-8-24-2)4-3-17-6-9-26(22,23)10-7-17/h11H,3-10H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531427
PNG
(CHEMBL4525302)
Show SMILES COCCn1c2scc(C)c2c(=O)n(CCC2CCOCC2)c1=O
Show InChI InChI=1S/C17H24N2O4S/c1-12-11-24-16-14(12)15(20)18(17(21)19(16)7-10-22-2)6-3-13-4-8-23-9-5-13/h11,13H,3-10H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50531416
PNG
(CHEMBL4451942)
Show SMILES Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C20H22N2O3S/c1-14-13-26-19-17(14)18(23)21(10-9-15-6-3-2-4-7-15)20(24)22(19)12-16-8-5-11-25-16/h2-4,6-7,13,16H,5,8-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition measured after 10...

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition measured after 10...

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50531416
PNG
(CHEMBL4451942)
Show SMILES Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C20H22N2O3S/c1-14-13-26-19-17(14)18(23)21(10-9-15-6-3-2-4-7-15)20(24)22(19)12-16-8-5-11-25-16/h2-4,6-7,13,16H,5,8-12H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50531416
PNG
(CHEMBL4451942)
Show SMILES Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C20H22N2O3S/c1-14-13-26-19-17(14)18(23)21(10-9-15-6-3-2-4-7-15)20(24)22(19)12-16-8-5-11-25-16/h2-4,6-7,13,16H,5,8-12H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
BindingDB Entry DOI: 10.7270/Q24J0JKM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%