BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 29 hits of Enz. Inhib. data with enzyme = 'Adenosine receptor A3' and Substrate = 'BDBM21242'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (human))
BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21237
PNG
(2-mercaptopyrimidine analogue, 5p | N-[6-(2-phenyl...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1
Show InChI InChI=1S/C17H21N3O2S/c1-3-11-23-17-19-15(18-13(2)21)12-16(20-17)22-10-9-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,18,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/a 1.25n/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21236
PNG
(2-mercaptopyrimidine analogue, 5o | N-{6-[(4-metho...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
Show InChI InChI=1S/C17H21N3O3S/c1-4-9-24-17-19-15(18-12(2)21)10-16(20-17)23-11-13-5-7-14(22-3)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/an/an/a 2.70n/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21239
PNG
(2-mercaptopyrimidine analogue, 5r | N-{6-[(4-chlor...)
Show SMILES CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H16ClN3O2S/c1-3-22-15-18-13(17-10(2)20)8-14(19-15)21-9-11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3,(H,17,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/a 1.84n/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21234
PNG
(2-mercaptopyrimidine analogue, 5m | N-{6-[(4-chlor...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-4-6-13(17)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/an/an/a 9.20n/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21232
PNG
(2-mercaptopyrimidine analogue, 5k | N-{6-[(2-chlor...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1
Show InChI InChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-6-4-5-7-13(12)17/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21233
PNG
(2-mercaptopyrimidine analogue, 5l | N-{6-[(3-chlor...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H18ClN3O2S/c1-3-7-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-5-4-6-13(17)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.10n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21231
PNG
(2-mercaptopyrimidine analogue, 5j | N-[6-(benzylox...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1
Show InChI InChI=1S/C16H19N3O2S/c1-3-9-22-16-18-14(17-12(2)20)10-15(19-16)21-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.5n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21240
PNG
(2-mercaptopyrimidine analogue, 5s | N-[2-(tert-but...)
Show SMILES CC(=O)Nc1cc(OCc2ccc(Cl)cc2)nc(SC(C)(C)C)n1
Show InChI InChI=1S/C17H20ClN3O2S/c1-11(22)19-14-9-15(21-16(20-14)24-17(2,3)4)23-10-12-5-7-13(18)8-6-12/h5-9H,10H2,1-4H3,(H,19,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.60n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21238
PNG
(2-mercaptopyrimidine analogue, 5q | N-[6-(cyclohex...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCC2CCCCC2)n1
Show InChI InChI=1S/C16H25N3O2S/c1-3-9-22-16-18-14(17-12(2)20)10-15(19-16)21-11-13-7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3,(H,17,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21217
PNG
(2-(4-methyl-1H-1,3-benzodiazol-2-yl)quinoxaline | ...)
Show SMILES Cc1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12N4/c1-10-5-4-8-13-15(10)20-16(19-13)14-9-17-11-6-2-3-7-12(11)18-14/h2-9H,1H3,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21228
PNG
(2-mercaptopyrimidine analogue, 5g | N-[6-propoxy-2...)
Show SMILES CCCOc1cc(NC(C)=O)nc(SCCC)n1
Show InChI InChI=1S/C12H19N3O2S/c1-4-6-17-11-8-10(13-9(3)16)14-12(15-11)18-7-5-2/h8H,4-7H2,1-3H3,(H,13,14,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21235
PNG
(2-mercaptopyrimidine analogue, 5n | N-{6-[(2,4-dic...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C16H17Cl2N3O2S/c1-3-6-24-16-20-14(19-10(2)22)8-15(21-16)23-9-11-4-5-12(17)7-13(11)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21224
PNG
(2-mercaptopyrimidine analogue, 5c | N-[2-(methylsu...)
Show SMILES CCCOc1cc(NC(C)=O)nc(SC)n1
Show InChI InChI=1S/C10H15N3O2S/c1-4-5-15-9-6-8(11-7(2)14)12-10(13-9)16-3/h6H,4-5H2,1-3H3,(H,11,12,13,14)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21229
PNG
(2-mercaptopyrimidine analogue, 5h | N-[6-propoxy-2...)
Show SMILES CCCOc1cc(NC(=O)CC)nc(SCCC)n1
Show InChI InChI=1S/C13H21N3O2S/c1-4-7-18-12-9-10(14-11(17)6-3)15-13(16-12)19-8-5-2/h9H,4-8H2,1-3H3,(H,14,15,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
38n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21225
PNG
(2-mercaptopyrimidine analogue, 5d | N-[2-(methylsu...)
Show SMILES CCCOc1cc(NC(=O)CC)nc(SC)n1
Show InChI InChI=1S/C11H17N3O2S/c1-4-6-16-10-7-8(12-9(15)5-2)13-11(14-10)17-3/h7H,4-6H2,1-3H3,(H,12,13,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
45n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
73n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21214
PNG
(3-(3-chloro-1H-pyrazol-5-yl)-1,2-dihydroquinoxalin...)
Show SMILES Clc1cc(n[nH]1)-c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C11H7ClN4O/c12-9-5-8(15-16-9)10-11(17)14-7-4-2-1-3-6(7)13-10/h1-5H,(H,14,17)(H,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
125n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21218
PNG
(2,5,8-trimethyl-4,7-dihydro-1H-benzo[1,2-d:3,4-d :...)
Show SMILES Cc1nc2c([nH]1)c1nc(C)[nH]c1c1nc(C)[nH]c21
Show InChI InChI=1S/C12H12N6/c1-4-13-7-8(14-4)10-12(18-6(3)16-10)11-9(7)15-5(2)17-11/h1-3H3,(H,13,14)(H,15,17)(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21226
PNG
(2-mercaptopyrimidine analogue, 5e | N-[6-methoxy-2...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OC)n1
Show InChI InChI=1S/C10H15N3O2S/c1-4-5-16-10-12-8(11-7(2)14)6-9(13-10)15-3/h6H,4-5H2,1-3H3,(H,11,12,13,14)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
166n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21227
PNG
(2-mercaptopyrimidine analogue, 5f | N-[6-methoxy-2...)
Show SMILES CCCSc1nc(NC(=O)CC)cc(OC)n1
Show InChI InChI=1S/C11H17N3O2S/c1-4-6-17-11-13-8(12-9(15)5-2)7-10(14-11)16-3/h7H,4-6H2,1-3H3,(H,12,13,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
276n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21219
PNG
(12-methyl-10-thia-1,4,5,6,8-pentaazatricyclo[7.3.0...)
Show SMILES CC1CSc2nc3nn[nH]c3c(=O)n12
Show InChI InChI=1S/C7H7N5OS/c1-3-2-14-7-8-5-4(9-11-10-5)6(13)12(3)7/h3H,2H2,1H3,(H,9,10,11)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
440n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21230
PNG
(2-mercaptopyrimidine analogue, 5i | N-[2-(benzylsu...)
Show SMILES CCCOc1cc(NC(C)=O)nc(SCc2ccccc2)n1
Show InChI InChI=1S/C16H19N3O2S/c1-3-9-21-15-10-14(17-12(2)20)18-16(19-15)22-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
525n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21215
PNG
(2-(1H-1,3-benzodiazol-2-yl)quinoxaline | 2-(1H-ben...)
Show SMILES c1ccc2[nH]c(nc2c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C15H10N4/c1-2-6-11-10(5-1)16-9-14(17-11)15-18-12-7-3-4-8-13(12)19-15/h1-9H,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
763n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21216
PNG
(2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...)
Show SMILES CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
955n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21213
PNG
(2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...)
Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21223
PNG
(2-mercaptopyrimidine analogue, 5b | N-[6-methoxy-2...)
Show SMILES CCC(=O)Nc1cc(OC)nc(SC)n1
Show InChI InChI=1S/C9H13N3O2S/c1-4-7(13)10-6-5-8(14-2)12-9(11-6)15-3/h5H,4H2,1-3H3,(H,10,11,12,13)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21222
PNG
(2-mercaptopyrimidine analogue, 5a | N-[6-methoxy-2...)
Show SMILES COc1cc(NC(C)=O)nc(SC)n1
Show InChI InChI=1S/C8H11N3O2S/c1-5(12)9-6-4-7(13-2)11-8(10-6)14-3/h4H,1-3H3,(H,9,10,11,12)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair