BindingDB logo
myBDB logout

PubMed code 10669571

Compile data set for download or QSAR
Found 24 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 A2a


(Homo sapiens (Human))		BDBM50084860
PNG
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
 5n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A2A receptor using [3H]-CGS-21,680 (95% confidence)

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50084860
PNG
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 8n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]-CGS-21,680

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061927
PNG
(8-[(E)-2-(3-Bromo-phenyl)-vinyl]-3,7-dimethyl-1-pr...)
Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H15BrN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3/b9-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 8.20n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]-CGS-21,680

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50084866
PNG
(8-[2-(3-Methoxy-phenyl)-vinyl]-3,7-dimethyl-1-prop...)
Show SMILES COc1cccc(\C=C\c2nc3n(C)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C19H18N4O3/c1-5-11-23-18(24)16-17(22(3)19(23)25)20-15(21(16)2)10-9-13-7-6-8-14(12-13)26-4/h1,6-10,12H,11H2,2-4H3/b10-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 12n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]-CGS-21,680

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50084865
PNG
(8-[2-(3-Bromo-phenyl)-vinyl]-3-(3-hydroxy-propyl)-...)
Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(CCCO)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C20H19BrN4O3/c1-3-10-25-19(27)17-18(24(20(25)28)11-5-12-26)22-16(23(17)2)9-8-14-6-4-7-15(21)13-14/h1,4,6-9,13,26H,5,10-12H2,2H3/b9-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 13n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]-CGS-21,680

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50084860
PNG
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
 15n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against human post-mortem brain adenosine A2A receptor using nuclei caudati and [3H]-CGS-21,680

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50084862
PNG
(8-[2-(3-Hydroxy-phenyl)-vinyl]-3,7-dimethyl-1-prop...)
Show SMILES Cn1c(\C=C\c2cccc(O)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H16N4O3/c1-4-10-22-17(24)15-16(21(3)18(22)25)19-14(20(15)2)9-8-12-6-5-7-13(23)11-12/h1,5-9,11,23H,10H2,2-3H3/b9-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 21n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]-CGS-21,680

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50084861
PNG
(8-[2-(3-Bromo-phenyl)-vinyl]-3-(2-hydroxy-ethyl)-7...)
Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(CCO)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C19H17BrN4O3/c1-3-9-24-18(26)16-17(23(10-11-25)19(24)27)21-15(22(16)2)8-7-13-5-4-6-14(20)12-13/h1,4-8,12,25H,9-11H2,2H3/b8-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 25n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]-CGS-21,680

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50084864
PNG
(3-(2-Hydroxy-ethyl)-8-[2-(3-methoxy-phenyl)-vinyl]...)
Show SMILES COc1cccc(\C=C\c2nc3n(CCO)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C20H20N4O4/c1-4-10-24-19(26)17-18(23(11-12-25)20(24)27)21-16(22(17)2)9-8-14-6-5-7-15(13-14)28-3/h1,5-9,13,25H,10-12H2,2-3H3/b9-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 39n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]-CGS-21,680

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50084863
PNG
(8-[2-(3-Amino-phenyl)-vinyl]-3,7-dimethyl-1-prop-2...)
Show SMILES Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H17N5O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10,19H2,2-3H3/b9-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 42n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]-CGS-21,680

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50084865
PNG
(8-[2-(3-Bromo-phenyl)-vinyl]-3-(3-hydroxy-propyl)-...)
Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(CCCO)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C20H19BrN4O3/c1-3-10-25-19(27)17-18(24(20(25)28)11-5-12-26)22-16(23(17)2)9-8-14-6-4-7-15(21)13-14/h1,4,6-9,13,26H,5,10-12H2,2H3/b9-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 625n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of rat brain cortical membranes using [3H]-CHA

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50084860
PNG
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 900n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of rat brain cortical membranes using [3H]-CHA

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50084862
PNG
(8-[2-(3-Hydroxy-phenyl)-vinyl]-3,7-dimethyl-1-prop...)
Show SMILES Cn1c(\C=C\c2cccc(O)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H16N4O3/c1-4-10-22-17(24)15-16(21(3)18(22)25)19-14(20(15)2)9-8-12-6-5-7-13(23)11-12/h1,5-9,11,23H,10H2,2-3H3/b9-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 940n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of rat brain cortical membranes using [3H]-CHA

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50084864
PNG
(3-(2-Hydroxy-ethyl)-8-[2-(3-methoxy-phenyl)-vinyl]...)
Show SMILES COc1cccc(\C=C\c2nc3n(CCO)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C20H20N4O4/c1-4-10-24-19(26)17-18(23(11-12-25)20(24)27)21-16(22(17)2)9-8-14-6-5-7-15(13-14)28-3/h1,5-9,13,25H,10-12H2,2-3H3/b9-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.04E+3n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of rat brain cortical membranes using [3H]-CHA

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50084863
PNG
(8-[2-(3-Amino-phenyl)-vinyl]-3,7-dimethyl-1-prop-2...)
Show SMILES Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H17N5O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10,19H2,2-3H3/b9-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.07E+3n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of rat brain cortical membranes using [3H]-CHA

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50084867
PNG
(CHEMBL137980 | Phosphoric acid mono-(3-{8-[2-(3-me...)
Show SMILES COc1cccc(\C=C\c2nc3n(CCCOP([O-])([O-])=O)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C21H23N4O7P/c1-4-11-25-20(26)18-19(24(21(25)27)12-6-13-32-33(28,29)30)22-17(23(18)2)10-9-15-7-5-8-16(14-15)31-3/h1,5,7-10,14H,6,11-13H2,2-3H3,(H2,28,29,30)/p-2/b10-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.12E+3n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of rat without and after preincubation with alkaline phosphatase

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061927
PNG
(8-[(E)-2-(3-Bromo-phenyl)-vinyl]-3,7-dimethyl-1-pr...)
Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H15BrN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3/b9-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 1.20E+3n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of rat brain cortical membranes using [3H]-CHA

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50084866
PNG
(8-[2-(3-Methoxy-phenyl)-vinyl]-3,7-dimethyl-1-prop...)
Show SMILES COc1cccc(\C=C\c2nc3n(C)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C19H18N4O3/c1-5-11-23-18(24)16-17(22(3)19(23)25)20-15(21(16)2)10-9-13-7-6-8-14(12-13)26-4/h1,6-10,12H,11H2,2-4H3/b10-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.28E+3n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of rat brain cortical membranes using [3H]-CHA

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50084861
PNG
(8-[2-(3-Bromo-phenyl)-vinyl]-3-(2-hydroxy-ethyl)-7...)
Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(CCO)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C19H17BrN4O3/c1-3-9-24-18(26)16-17(23(10-11-25)19(24)27)21-15(22(16)2)8-7-13-5-4-6-14(20)12-13/h1,4-8,12,25H,9-11H2,2H3/b8-7+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.28E+3n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of rat brain cortical membranes using [3H]-CHA

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50084860
PNG
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 2.50E+3n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A1 receptor using [3H]-CCPA (95% confidence)

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50084860
PNG
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

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



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A3 receptor in CHO cell membranes using [3H]-NECA

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50061927
PNG
(8-[(E)-2-(3-Bromo-phenyl)-vinyl]-3,7-dimethyl-1-pr...)
Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H15BrN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3/b9-8+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition of NECA-induced stimulation of adenylate cyclase at human adenosine A2B receptor

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50061927
PNG
(8-[(E)-2-(3-Bromo-phenyl)-vinyl]-3,7-dimethyl-1-pr...)
Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H15BrN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3/b9-8+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



University of Würzburg

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A3 receptor in CHO cell membranes using [3H]-NECA

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50084860
PNG
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

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



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition of NECA-induced stimulation of adenylate cyclase at human adenosine A2B receptor

J Med Chem 43: 440-8 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W36
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%