BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2236 hits with Last Name = 'catarzi' and Initial = 'd'   
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 A3


(Homo sapiens (Human))
BDBM50138568
PNG
(CHEMBL3754229)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
Show InChI InChI=1S/C23H17N5O2S/c1-30-17-11-9-15(10-12-17)23(29)26-22-20-18(24-21(25-22)19-8-5-13-31-19)14-28(27-20)16-6-3-2-4-7-16/h2-14H,1H3,(H,24,25,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0270n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50055096
PNG
(CHEMBL3317576)
Show SMILES COc1cccc(CCCc2nc(N)c3nn(cc3n2)-c2ccccc2)c1
Show InChI InChI=1S/C21H21N5O/c1-27-17-11-5-7-15(13-17)8-6-12-19-23-18-14-26(16-9-3-2-4-10-16)25-20(18)21(22)24-19/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H2,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.150n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis


Eur J Med Chem 84: 614-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.060
BindingDB Entry DOI: 10.7270/Q2BG2QNH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50505384
PNG
(CHEMBL4457393)
Show SMILES COc1c(C)cc(cc1C)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Show InChI InChI=1S/C20H19N5O2/c1-12-9-14(10-13(2)17(12)27-3)16-11-24-19(18(21)22-16)23-25(20(24)26)15-7-5-4-6-8-15/h4-11H,1-3H3,(H2,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
PubMed
0.170n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay


J Med Chem 62: 8511-8531 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50055099
PNG
(CHEMBL3317579)
Show SMILES Nc1nc(CCCc2cccc(O)c2)nc2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O/c21-20-19-17(13-25(24-19)15-8-2-1-3-9-15)22-18(23-20)11-5-7-14-6-4-10-16(26)12-14/h1-4,6,8-10,12-13,26H,5,7,11H2,(H2,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.220n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis


Eur J Med Chem 84: 614-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.060
BindingDB Entry DOI: 10.7270/Q2BG2QNH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50211095
PNG
(CHEMBL3917647)
Show SMILES Nc1nc(NCCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c18-14-13-16(25-15(20-13)12-5-2-8-24-12)22-17(21-14)19-7-6-10-3-1-4-11(23)9-10/h1-5,8-9,23H,6-7H2,(H3,18,19,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
BindingDB Entry DOI: 10.7270/Q2SJ1NST
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50449637
PNG
(CHEMBL4162638)
Show SMILES Nc1nc(NCCc2cccnc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H20N2O2/c20-13-3-4-14-15(9-18-16(14)8-13)17(21)7-10-5-11-1-2-12(6-10)19-11/h3-4,8-12,18-20H,1-2,5-7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.240n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


Eur J Med Chem 155: 552-561 (2018)


BindingDB Entry DOI: 10.7270/Q2P55R3W
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50449649
PNG
(CHEMBL4159215)
Show SMILES Nc1nc(NCc2ccsc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C14H11N5OS2/c15-11-10-13(22-12(17-10)9-2-1-4-20-9)19-14(18-11)16-6-8-3-5-21-7-8/h1-5,7H,6H2,(H3,15,16,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


Eur J Med Chem 155: 552-561 (2018)


BindingDB Entry DOI: 10.7270/Q2P55R3W
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50238406
PNG
(CHEMBL4082584)
Show SMILES Oc1ccc(cc1)-n1nc2n(cc([nH]c2=O)-c2ccccc2)c1=O
Show InChI InChI=1S/C17H12N4O3/c22-13-8-6-12(7-9-13)21-17(24)20-10-14(11-4-2-1-3-5-11)18-16(23)15(20)19-21/h1-10,22H,(H,18,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.370n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method


J Med Chem 60: 5772-5790 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00457
BindingDB Entry DOI: 10.7270/Q21V5H87
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50257025
PNG
(4-(cyclohexylamino)-2-phenylpyrido[2,3-e][1,2,4]tr...)
Show SMILES O=c1n(nc2c(NC3CCCCC3)nc3ncccc3n12)-c1ccccc1
Show InChI InChI=1S/C20H20N6O/c27-20-25-16-12-7-13-21-17(16)23-18(22-14-8-3-1-4-9-14)19(25)24-26(20)15-10-5-2-6-11-15/h2,5-7,10-14H,1,3-4,8-9H2,(H,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.380n/an/an/an/an/an/an/an/a



Universita di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor


J Med Chem 52: 2407-19 (2009)


Article DOI: 10.1021/jm8014876
BindingDB Entry DOI: 10.7270/Q2X63MVV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50138715
PNG
(CHEMBL3753642)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1cccnc1
Show InChI InChI=1S/C21H14N6OS/c28-21(14-6-4-10-22-12-14)25-20-18-16(23-19(24-20)17-9-5-11-29-17)13-27(26-18)15-7-2-1-3-8-15/h1-13H,(H,23,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.410n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50086155
PNG
(4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-...)
Show SMILES O=c1n(nc2c(NC3CCCC3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O/c26-20-24-17-13-7-6-12-16(17)22-18(21-14-8-4-5-9-14)19(24)23-25(20)15-10-2-1-3-11-15/h1-3,6-7,10-14H,4-5,8-9H2,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.420n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM


J Med Chem 43: 1158-64 (2000)


Article DOI: 10.1021/jm991096e
BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50449650
PNG
(CHEMBL4167813)
Show SMILES Nc1nc(NCc2ccccn2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C15H12N6OS/c16-12-11-14(23-13(19-11)10-5-3-7-22-10)21-15(20-12)18-8-9-4-1-2-6-17-9/h1-7H,8H2,(H3,16,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.420n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


Eur J Med Chem 155: 552-561 (2018)


BindingDB Entry DOI: 10.7270/Q2P55R3W
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50257026
PNG
(4-(cyclopentylamino)-2-phenylpyrido[2,3-e][1,2,4]t...)
Show SMILES O=c1n(nc2c(NC3CCCC3)nc3ncccc3n12)-c1ccccc1
Show InChI InChI=1S/C19H18N6O/c26-19-24-15-11-6-12-20-16(15)22-17(21-13-7-4-5-8-13)18(24)23-25(19)14-9-2-1-3-10-14/h1-3,6,9-13H,4-5,7-8H2,(H,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.470n/an/an/an/an/an/an/an/a



Universita di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor


J Med Chem 52: 2407-19 (2009)


Article DOI: 10.1021/jm8014876
BindingDB Entry DOI: 10.7270/Q2X63MVV
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Universita di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor


J Med Chem 52: 2407-19 (2009)


Article DOI: 10.1021/jm8014876
BindingDB Entry DOI: 10.7270/Q2X63MVV
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]DPCPX from adenosine A1 receptor in bovine brain membrane


Bioorg Med Chem 16: 6086-102 (2008)


Article DOI: 10.1016/j.bmc.2008.04.039
BindingDB Entry DOI: 10.7270/Q2TQ61BG
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes


J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7932-45 (2005)


Article DOI: 10.1021/jm0504149
BindingDB Entry DOI: 10.7270/Q20V8CCR
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from adenosine A1 receptor in bovine brain membranes


J Med Chem 43: 3118-24 (2000)


Article DOI: 10.1021/jm000936i
BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM


J Med Chem 43: 1158-64 (2000)


Article DOI: 10.1021/jm991096e
BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in bovine brain membranes by [3H]CHA displacement.


J Med Chem 47: 3580-90 (2004)


Article DOI: 10.1021/jm031136l
BindingDB Entry DOI: 10.7270/Q2CV4JHH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50055098
PNG
(CHEMBL3317578)
Show SMILES Nc1nc(CCCc2ccccc2O)nc2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O/c21-20-19-16(13-25(24-19)15-9-2-1-3-10-15)22-18(23-20)12-6-8-14-7-4-5-11-17(14)26/h1-5,7,9-11,13,26H,6,8,12H2,(H2,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.540n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis


Eur J Med Chem 84: 614-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.060
BindingDB Entry DOI: 10.7270/Q2BG2QNH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50505386
PNG
(CHEMBL4442908)
Show SMILES NCCC(=O)Nc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Show InChI InChI=1S/C20H19N7O2/c21-11-10-17(28)23-14-8-6-13(7-9-14)16-12-26-19(18(22)24-16)25-27(20(26)29)15-4-2-1-3-5-15/h1-9,12H,10-11,21H2,(H2,22,24)(H,23,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
PubMed
0.590n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay


J Med Chem 62: 8511-8531 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149355
PNG
(2-(4-Nitro-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]qui...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C15H9N5O4/c21-14-13-17-19(9-5-7-10(8-6-9)20(23)24)15(22)18(13)12-4-2-1-3-11(12)16-14/h1-8H,(H,16,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A3 receptor expressed in CHO cells by [125I]AB-MECA displacement.


J Med Chem 47: 3580-90 (2004)


Article DOI: 10.1021/jm031136l
BindingDB Entry DOI: 10.7270/Q2CV4JHH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053929
PNG
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.650n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A3 receptor


Bioorg Med Chem 23: 9-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.033
BindingDB Entry DOI: 10.7270/Q24B32XC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50341606
PNG
(1-(2,5-dimethoxyphenyl)-3-(4-oxo-3-phenyl-3,4-dihy...)
Show SMILES COc1ccc(OC)c(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1
Show InChI InChI=1S/C23H20N4O4/c1-30-16-12-13-20(31-2)19(14-16)24-23(29)25-21-17-10-6-7-11-18(17)22(28)27(26-21)15-8-4-3-5-9-15/h3-14H,1-2H3,(H2,24,25,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.776n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 54: 2102-13 (2011)


Article DOI: 10.1021/jm101328n
BindingDB Entry DOI: 10.7270/Q2P84C7S
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50189814
PNG
(CHEMBL211862 | N-(2-(4-methoxyphenyl)-6-nitro-1-ox...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C30H22N6O5/c1-41-22-17-15-21(16-18-22)35-30(38)34-23-13-8-14-24(36(39)40)26(23)31-27(28(34)33-35)32-29(37)25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18,25H,1H3,(H,31,32,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50189810
PNG
(CHEMBL209927 | N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,...)
Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H21N5O2/c35-28(25(20-12-4-1-5-13-20)21-14-6-2-7-15-21)31-26-27-32-34(22-16-8-3-9-17-22)29(36)33(27)24-19-11-10-18-23(24)30-26/h1-19,25H,(H,30,31,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.810n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50211089
PNG
(CHEMBL3913413)
Show SMILES Nc1nc(NCc2cccc(F)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H12FN5OS/c17-10-4-1-3-9(7-10)8-19-16-21-13(18)12-15(22-16)24-14(20-12)11-5-2-6-23-11/h1-7H,8H2,(H3,18,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.820n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
BindingDB Entry DOI: 10.7270/Q2SJ1NST
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
PubMed
0.870n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


Eur J Med Chem 155: 552-561 (2018)


BindingDB Entry DOI: 10.7270/Q2P55R3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50508679
PNG
(CHEMBL4530682)
Show SMILES Nc1nc(nc2sc(nc12)-c1ccco1)-c1cccc(CO)c1
Show InChI InChI=1S/C16H12N4O2S/c17-13-12-16(23-15(18-12)11-5-2-6-22-11)20-14(19-13)10-4-1-3-9(7-10)8-21/h1-7,21H,8H2,(H2,17,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
PubMed
0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells after 3 hrs by scintillation counting method


Bioorg Med Chem Lett 29: 563-569 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
0.910n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
BindingDB Entry DOI: 10.7270/Q2SJ1NST
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50211082
PNG
(CHEMBL3907658)
Show SMILES COc1cccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)c1
Show InChI InChI=1S/C18H17N5O2S/c1-24-12-5-2-4-11(10-12)7-8-20-18-22-15(19)14-17(23-18)26-16(21-14)13-6-3-9-25-13/h2-6,9-10H,7-8H2,1H3,(H3,19,20,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.920n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
BindingDB Entry DOI: 10.7270/Q2SJ1NST
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
0.930n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS21680 from human adenosine A2A receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
BindingDB Entry DOI: 10.7270/Q2SJ1NST
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50528492
PNG
(CHEMBL4557250)
Show SMILES Nc1nc(SCc2cccc(CO)c2)c(C#N)c(-c2ccco2)c1C#N
Show InChI InChI=1S/C19H14N4O2S/c20-8-14-17(16-5-2-6-25-16)15(9-21)19(23-18(14)22)26-11-13-4-1-3-12(7-13)10-24/h1-7,24H,10-11H2,(H2,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
PubMed
0.980n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 62: 6894-6912 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50528505
PNG
(CHEMBL4521115)
Show SMILES Nc1nc(SCc2cccc(c2)C#N)c(C#N)c(-c2ccco2)c1C#N
Show InChI InChI=1S/C19H11N5OS/c20-8-12-3-1-4-13(7-12)11-26-19-15(10-22)17(16-5-2-6-25-16)14(9-21)18(23)24-19/h1-7H,11H2,(H2,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 62: 6894-6912 (2019)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50189809
PNG
(CHEMBL378514 | N-(6-amino-1-oxo-2-phenyl-1,2-dihyd...)
Show SMILES CC(=O)Nc1nc2c(N)cccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C17H14N6O2/c1-10(24)19-15-16-21-23(11-6-3-2-4-7-11)17(25)22(16)13-9-5-8-12(18)14(13)20-15/h2-9H,18H2,1H3,(H,19,20,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes


J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50189815
PNG
(6-amino-4-benzamido-1,2-dihydro-2-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3c(N)cccc3n2c1=O
Show InChI InChI=1S/C23H18N6O3/c1-32-16-12-10-15(11-13-16)29-23(31)28-18-9-5-8-17(24)19(18)25-20(21(28)27-29)26-22(30)14-6-3-2-4-7-14/h2-13H,24H2,1H3,(H,25,26,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50086157
PNG
(4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]tri...)
Show SMILES Fc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C20H18FN5O/c21-13-6-5-9-15(12-13)26-20(27)25-17-11-4-3-10-16(17)23-18(19(25)24-26)22-14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8H2,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM


J Med Chem 43: 1158-64 (2000)


Article DOI: 10.1021/jm991096e
BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 62: 6894-6912 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50528495
PNG
(CHEMBL4521162)
Show SMILES COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3cccnc3)c2C#N)c1
Show InChI InChI=1S/C21H15N5O2S/c1-28-21(27)14-5-2-4-13(8-14)12-29-20-17(10-23)18(15-6-3-7-25-11-15)16(9-22)19(24)26-20/h2-8,11H,12H2,1H3,(H2,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
PubMed
1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 62: 6894-6912 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50300681
PNG
(2-(4-methoxyphenyl)-5-methyl-2H-pyrazolo[4,3-d]pyr...)
Show SMILES COc1ccc(cc1)-n1cc2nc(C)[nH]c(=O)c2n1
Show InChI InChI=1S/C13H12N4O2/c1-8-14-11-7-17(16-12(11)13(18)15-8)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H,14,15,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 52: 7640-52 (2009)


Article DOI: 10.1021/jm900718w
BindingDB Entry DOI: 10.7270/Q26T0MP5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50413803
PNG
(CHEMBL487754)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C17H23ClN6O4/c1-2-19-15(27)12-10(25)11(26)16(28-12)24-7-20-9-13(21-8-5-3-4-6-8)22-17(18)23-14(9)24/h7-8,10-12,16,25-26H,2-6H2,1H3,(H,19,27)(H,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method


J Med Chem 60: 5772-5790 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00457
BindingDB Entry DOI: 10.7270/Q21V5H87
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]Z241385 from human cloned adenosine A2A receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 52: 7640-52 (2009)


Article DOI: 10.1021/jm900718w
BindingDB Entry DOI: 10.7270/Q26T0MP5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine A1 receptor


(BOVINE)
BDBM50086144
PNG
(4-(cyclopentylamino)-2-m-tolyl-[1,2,4]triazolo[4,3...)
Show SMILES Cc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C21H21N5O/c1-14-7-6-10-16(13-14)26-21(27)25-18-12-5-4-11-17(18)23-19(20(25)24-26)22-15-8-2-3-9-15/h4-7,10-13,15H,2-3,8-9H2,1H3,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.21n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM


J Med Chem 43: 1158-64 (2000)


Article DOI: 10.1021/jm991096e
BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50055095
PNG
(CHEMBL3317575)
Show SMILES COc1ccccc1CCCc1nc(N)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C21H21N5O/c1-27-18-12-6-5-8-15(18)9-7-13-19-23-17-14-26(16-10-3-2-4-11-16)25-20(17)21(22)24-19/h2-6,8,10-12,14H,7,9,13H2,1H3,(H2,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis


Eur J Med Chem 84: 614-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.060
BindingDB Entry DOI: 10.7270/Q2BG2QNH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50138719
PNG
(CHEMBL3753544)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H21N5O3/c1-33-20-12-8-17(9-13-20)24-27-22-16-31(19-6-4-3-5-7-19)30-23(22)25(28-24)29-26(32)18-10-14-21(34-2)15-11-18/h3-16H,1-2H3,(H,27,28,29,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50528487
PNG
(CHEMBL4581984)
Show SMILES NC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccco3)c2C#N)c1
Show InChI InChI=1S/C19H13N5O2S/c20-8-13-16(15-5-2-6-26-15)14(9-21)19(24-17(13)22)27-10-11-3-1-4-12(7-11)18(23)25/h1-7H,10H2,(H2,22,24)(H2,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
PubMed
1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 62: 6894-6912 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50528488
PNG
(CHEMBL4440752)
Show SMILES Nc1nc(SCc2cccnc2)c(C#N)c(-c2ccco2)c1C#N
Show InChI InChI=1S/C17H11N5OS/c18-7-12-15(14-4-2-6-23-14)13(8-19)17(22-16(12)20)24-10-11-3-1-5-21-9-11/h1-6,9H,10H2,(H2,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
PubMed
1.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 62: 6894-6912 (2019)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50086140
PNG
(4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a...)
Show SMILES O=c1n(nc2c(NC3CCCCC3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C21H21N5O/c27-21-25-18-14-8-7-13-17(18)23-19(22-15-9-3-1-4-10-15)20(25)24-26(21)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.43n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM


J Med Chem 43: 1158-64 (2000)


Article DOI: 10.1021/jm991096e
BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50086159
PNG
(CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...)
Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
Show InChI InChI=1S/C22H15N5O2/c28-21(15-9-3-1-4-10-15)24-19-20-25-27(16-11-5-2-6-12-16)22(29)26(20)18-14-8-7-13-17(18)23-19/h1-14H,(H,23,24,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.47n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2236 total )  |  Next  |  Last  >>
Jump to: