BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 707 hits with Last Name = 'von frijtag drabbe künzel' and Initial = 'jk'   
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 A2


(Homo sapiens (Human))
BDBM50202775
PNG
(8-(furan-2-yl)-3-(2-(4-(4-methoxyphenyl)piperazin-...)
Show SMILES COc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C23H25N9O2/c1-33-17-6-4-16(5-7-17)30-11-8-29(9-12-30)10-13-31-15-25-19-21(31)27-23(24)32-22(19)26-20(28-32)18-3-2-14-34-18/h2-7,14-15H,8-13H2,1H3,(H2,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50108022
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.120n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50156616
PNG
((7RS,9aRS)-5-[7-(3-fluoro-phenoxymethyl)-octahydro...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccc(F)c3)CC[C@H]2C1
Show InChI InChI=1S/C23H25FN8O2/c24-16-3-1-4-18(11-16)34-14-15-6-7-17-13-31(9-8-30(17)12-15)22-27-21(25)32-23(28-22)26-20(29-32)19-5-2-10-33-19/h1-5,10-11,15,17H,6-9,12-14H2,(H2,25,26,27,28,29)/t15-,17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50186588
PNG
(8-cyclopentyl-2,6-diphenyl-9H-purine | CHEMBL20782...)
Show SMILES C1CCC(C1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.290n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50065757
PNG
((S)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c...)
Show SMILES C[C@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C22H16ClN5O2/c1-13(14-6-3-2-4-7-14)21(29)26-22-24-17-10-9-15(23)12-16(17)20-25-19(27-28(20)22)18-8-5-11-30-18/h2-13H,1H3,(H,24,26,29)/t13-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.362n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50004566
PNG
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50065774
PNG
((R)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c...)
Show SMILES C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C22H16ClN5O2/c1-13(14-6-3-2-4-7-14)21(29)26-22-24-17-10-9-15(23)12-16(17)20-25-19(27-28(20)22)18-8-5-11-30-18/h2-13H,1H3,(H,24,26,29)/t13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.468n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50262049
PNG
(CHEMBL469026 | tert-butyl 4-(3-(5-amino-2-(furan-2...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1cccc(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
Show InChI InChI=1S/C24H27N7O3/c1-24(2,3)34-23(32)30-11-9-29(10-12-30)17-7-4-6-16(14-17)18-15-20-27-21(19-8-5-13-33-19)28-31(20)22(25)26-18/h4-8,13-15H,9-12H2,1-3H3,(H2,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205280
PNG
(2,6-diphenyl-8-isobutyl-1-deazapurine | CHEMBL2214...)
Show SMILES CC(C)Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H21N3/c1-15(2)13-20-24-21-18(16-9-5-3-6-10-16)14-19(23-22(21)25-20)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.550n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50065756
PNG
(CHEMBL317580 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES Clc1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C27H18ClN5O2/c28-19-13-14-21-20(16-19)25-30-24(22-12-7-15-35-22)32-33(25)27(29-21)31-26(34)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23H,(H,29,31,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.586n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205281
PNG
(2,6-diphenyl-8-isopropyl-1-deazapurine | CHEMBL221...)
Show SMILES CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N3/c1-14(2)20-23-19-17(15-9-5-3-6-10-15)13-18(22-21(19)24-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.610n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205286
PNG
(8-cyclopentyl-2,6-diphenyl-1-deazapurin | CHEMBL21...)
Show SMILES C1CCC(C1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c1-3-9-16(10-4-1)19-15-20(17-11-5-2-6-12-17)24-23-21(19)25-22(26-23)18-13-7-8-14-18/h1-6,9-12,15,18H,7-8,13-14H2,(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.620n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50370560
PNG
(CHEMBL610234)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(NC2CCCC2)nc2c(SCc3ccccc3)ncnc12
Show InChI InChI=1S/C22H27N5O4S/c28-10-15-17(29)18(30)21(31-15)27-19-16(26-22(27)25-14-8-4-5-9-14)20(24-12-23-19)32-11-13-6-2-1-3-7-13/h1-3,6-7,12,14-15,17-18,21,28-30H,4-5,8-11H2,(H,25,26)/t15-,17-,18-,21?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.640n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
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
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50186599
PNG
(8-cyclohexyl-2,6-diphenyl-9H-purine | CHEMBL207529...)
Show SMILES C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.730n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

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



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50161341
PNG
(4-(5-Bromo-furan-2-yl)-8-isopropyl-5H-indeno[1,2-d...)
Show SMILES CC(C)c1ccc2Cc3c(nc(N)nc3-c3ccc(Br)o3)-c2c1
Show InChI InChI=1S/C18H16BrN3O/c1-9(2)10-3-4-11-8-13-16(12(11)7-10)21-18(20)22-17(13)14-5-6-15(19)23-14/h3-7,9H,8H2,1-2H3,(H2,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50186590
PNG
(8-isopropyl-2,6-diphenyl-9H-purine | CHEMBL204780 ...)
Show SMILES CC(C)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H18N4/c1-13(2)18-22-17-16(14-9-5-3-6-10-14)21-19(24-20(17)23-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205285
PNG
(2,6-diphenyl-8-(1-ethylpropyl)-1-deazapurine | CHE...)
Show SMILES CCC(CC)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H23N3/c1-3-16(4-2)22-25-21-19(17-11-7-5-8-12-17)15-20(24-23(21)26-22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.870n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205283
PNG
(2,6-diphenyl-8-cyclohexyl-1-deazapurine | CHEMBL21...)
Show SMILES C1CCC(CC1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50370567
PNG
(CHEMBL608795)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(NC2CCCCC2)nc2c(SCc3ccccc3)ncnc12
Show InChI InChI=1S/C23H29N5O4S/c29-11-16-18(30)19(31)22(32-16)28-20-17(27-23(28)26-15-9-5-2-6-10-15)21(25-13-24-20)33-12-14-7-3-1-4-8-14/h1,3-4,7-8,13,15-16,18-19,22,29-31H,2,5-6,9-12H2,(H,26,27)/t16-,18-,19-,22?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.940n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50262441
PNG
(2-Amino-4,6-di-furan-2-yl-nicotinonitrile | CHEMBL...)
Show SMILES Nc1nc(cc(-c2ccco2)c1C#N)-c1ccco1
Show InChI InChI=1S/C14H9N3O2/c15-8-10-9(12-3-1-5-18-12)7-11(17-14(10)16)13-4-2-6-19-13/h1-7H,(H2,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membrane


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50173176
PNG
(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin...)
Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C18H16N6O3/c19-15-17-22-16(14-2-1-9-27-14)23-24(17)10-13(21-15)18(26)20-8-7-11-3-5-12(25)6-4-11/h1-6,9-10,25H,7-8H2,(H2,19,21)(H,20,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

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



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity for rat adenosine A3 receptor


J Med Chem 42: 1384-92 (1999)


Article DOI: 10.1021/jm9804984
BindingDB Entry DOI: 10.7270/Q2X34Z4X
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50239036
PNG
(2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carbox...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1
Show InChI InChI=1S/C17H14N6O2/c18-16-21-13(12-7-4-8-25-12)14-15(22-16)23(10-20-14)17(24)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,24)(H2,18,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50159713
PNG
(4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...)
Show SMILES CC(O)(Cc1ccncc1)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1
Show InChI InChI=1S/C19H16N6O2/c1-19(26,11-13-5-8-21-9-6-13)7-4-14-12-25-18(16(20)22-14)23-17(24-25)15-3-2-10-27-15/h2-3,5-6,8-10,12,26H,11H2,1H3,(H2,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50065775
PNG
(5-Amino-pentanoic acid (9-chloro-2-furan-2-yl-[1,2...)
Show SMILES NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H17ClN6O2/c19-11-6-7-13-12(10-11)17-23-16(14-4-3-9-27-14)24-25(17)18(21-13)22-15(26)5-1-2-8-20/h3-4,6-7,9-10H,1-2,5,8,20H2,(H,21,22,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.13n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50065771
PNG
(4-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES OC(=O)CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H14ClN5O4/c19-10-6-7-12-11(9-10)17-22-16(13-3-2-8-28-13)23-24(17)18(20-12)21-14(25)4-1-5-15(26)27/h2-3,6-9H,1,4-5H2,(H,26,27)(H,20,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.15n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50125912
PNG
(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo...)
Show SMILES CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C12H11N7OS/c1-18-11(21-2)7-9(16-18)15-12(13)19-10(7)14-8(17-19)6-4-3-5-20-6/h3-5H,1-2H3,(H2,13,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375504
PNG
(CHEMBL259704)
Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C23H20N4O/c24-15-19-20(16-9-3-1-4-10-16)25-23(27-22(28)18-13-7-8-14-18)26-21(19)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-14H2,(H,25,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

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



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from membranes of HEK 293 cells expressing human Adenosine A3 receptor


J Med Chem 42: 1384-92 (1999)


Article DOI: 10.1021/jm9804984
BindingDB Entry DOI: 10.7270/Q2X34Z4X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205279
PNG
(2,6-diphenyl-1-deazapurine | CHEMBL220535)
Show SMILES c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H13N3/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)21-18-17(15)19-12-20-18/h1-12H,(H,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053936
PNG
(4-Amino-N-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1...)
Show SMILES NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H15ClN6O2/c18-10-5-6-12-11(9-10)16-22-15(13-3-2-8-26-13)23-24(16)17(20-12)21-14(25)4-1-7-19/h2-3,5-6,8-9H,1,4,7,19H2,(H,20,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.38n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50238959
PNG
(2-isopropyl-4-(thiazol-2-yl)thieno[3,2-d]pyrimidin...)
Show SMILES CC(C)c1nc(-c2nccs2)c2sccc2n1
Show InChI InChI=1S/C12H11N3S2/c1-7(2)11-14-8-3-5-16-10(8)9(15-11)12-13-4-6-17-12/h3-7H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50262436
PNG
(2-Amino-4-thiophen-2-yl-6-furan-2-yl-nicotinonitri...)
Show SMILES Nc1nc(cc(-c2cccs2)c1C#N)-c1ccco1
Show InChI InChI=1S/C14H9N3OS/c15-8-10-9(13-4-2-6-19-13)7-11(17-14(10)16)12-3-1-5-18-12/h1-7H,(H2,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membrane


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375500
PNG
(CHEMBL259607)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H12N4O2/c19-9-13-16(11-4-2-1-3-5-11)21-18(20)22-17(13)12-6-7-14-15(8-12)24-10-23-14/h1-8H,10H2,(H2,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50150075
PNG
(2-Amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(3-me...)
Show SMILES COc1cccc(c1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
Show InChI InChI=1S/C18H14N6OS/c1-25-12-4-2-3-11(7-12)16-13(8-19)17(21)24-18(14(16)9-20)26-10-15-22-5-6-23-15/h2-7H,10H2,1H3,(H2,21,24)(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Leiden

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX


J Med Chem 47: 3707-9 (2004)


Article DOI: 10.1021/jm049947s
BindingDB Entry DOI: 10.7270/Q2833SS3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50157657
PNG
(CHEMBL375631 | cyclopentanecarboxylic acid (2,6-di...)
Show SMILES O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C22H21N3O/c26-22(18-13-7-8-14-18)25-20-15-19(16-9-3-1-4-10-16)23-21(24-20)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 6529-40 (2004)


Article DOI: 10.1021/jm049448r
BindingDB Entry DOI: 10.7270/Q2DN44J7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50157656
PNG
(CHEMBL223977 | LUF-5767 | N-(2,6-diphenylpyrimidin...)
Show SMILES CCC(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O/c1-3-15(2)21(25)24-19-14-18(16-10-6-4-7-11-16)22-20(23-19)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3,(H,22,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 6529-40 (2004)


Article DOI: 10.1021/jm049448r
BindingDB Entry DOI: 10.7270/Q2DN44J7
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50370565
PNG
(CHEMBL610047)
Show SMILES CCCCCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H29N5O4S/c1-2-3-7-10-23-22-26-16-19(27(22)21-18(30)17(29)15(11-28)31-21)24-13-25-20(16)32-12-14-8-5-4-6-9-14/h4-6,8-9,13,15,17-18,21,28-30H,2-3,7,10-12H2,1H3,(H,23,26)/t15-,17-,18-,21?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50150077
PNG
(2-((1H-imidazol-2-yl)methylthio)-6-amino-4-phenylp...)
Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C17H12N6S/c18-8-12-15(11-4-2-1-3-5-11)13(9-19)17(23-16(12)20)24-10-14-21-6-7-22-14/h1-7H,10H2,(H2,20,23)(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



University of Leiden

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX


J Med Chem 47: 3707-9 (2004)


Article DOI: 10.1021/jm049947s
BindingDB Entry DOI: 10.7270/Q2833SS3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205284
PNG
(2,6-diphenyl-8-ethyl-1-deazapurine | CHEMBL222130)
Show SMILES CCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H17N3/c1-2-18-22-19-16(14-9-5-3-6-10-14)13-17(21-20(19)23-18)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205290
PNG
(2,6-dphenyl-8-propyl-1-deazapurine | CHEMBL376648)
Show SMILES CCCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N3/c1-2-9-19-23-20-17(15-10-5-3-6-11-15)14-18(22-21(20)24-19)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50150074
PNG
(2-Amino-4-(4-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...)
Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(O)cc2)c1C#N
Show InChI InChI=1S/C17H12N6OS/c18-7-12-15(10-1-3-11(24)4-2-10)13(8-19)17(23-16(12)20)25-9-14-21-5-6-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



University of Leiden

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX


J Med Chem 47: 3707-9 (2004)


Article DOI: 10.1021/jm049947s
BindingDB Entry DOI: 10.7270/Q2833SS3
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059414
PNG
(2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccc(cc2)[N+]([O-])=O)c1C#Cc1ccccc1
Show InChI InChI=1S/C31H26N2O6/c1-3-38-30(34)27-21(2)32-29(24-12-8-5-9-13-24)28(26(27)19-16-22-10-6-4-7-11-22)31(35)39-20-23-14-17-25(18-15-23)33(36)37/h4-15,17-18,26,35H,3,20H2,1-2H3/b31-28-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.69n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375499
PNG
(CHEMBL259319)
Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1)C1CCCC1
Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(15-6-2-1-3-7-15)26-24(28-23(29)16-8-4-5-9-16)27-22(18)17-10-11-19-20(12-17)31-14-30-19/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375497
PNG
(CHEMBL259075)
Show SMILES CCCC(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C21H18N4O/c1-2-9-18(26)23-21-24-19(15-10-5-3-6-11-15)17(14-22)20(25-21)16-12-7-4-8-13-16/h3-8,10-13H,2,9H2,1H3,(H,23,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375495
PNG
(CHEMBL440416)
Show SMILES CC(C)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C21H18N4O/c1-14(2)20(26)25-21-23-18(15-9-5-3-6-10-15)17(13-22)19(24-21)16-11-7-4-8-12-16/h3-12,14H,1-2H3,(H,23,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50370557
PNG
(CHEMBL607955)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(NC2CC2)nc2c(SCc3ccccc3)ncnc12
Show InChI InChI=1S/C20H23N5O4S/c26-8-13-15(27)16(28)19(29-13)25-17-14(24-20(25)23-12-6-7-12)18(22-10-21-17)30-9-11-4-2-1-3-5-11/h1-5,10,12-13,15-16,19,26-28H,6-9H2,(H,23,24)/t13-,15-,16-,19?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 707 total )  |  Next  |  Last  >>
Jump to: