BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 222 hits of Enz. Inhib. data with enzyme = 'Adenosine receptor A1' and Substrate = 'to-be-curated'   
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 A1


(Rattus norvegicus (rat))
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
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.180n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)


BindingDB Entry DOI: 10.7270/Q22V2DMN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50008415
PNG
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)
Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)


BindingDB Entry DOI: 10.7270/Q22V2DMN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.300n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)


BindingDB Entry DOI: 10.7270/Q26H4FXN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
0.320n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochem Pharmacol 43: 1089-93 (1992)


BindingDB Entry DOI: 10.7270/Q20863S6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021484
PNG
(5-(6-Cyclohexylamino-purin-9-yl)-3,4-dihydroxy-tet...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C18H26N6O4/c1-2-19-17(27)14-12(25)13(26)18(28-14)24-9-22-11-15(20-8-21-16(11)24)23-10-6-4-3-5-7-10/h8-10,12-14,18,25-26H,2-7H2,1H3,(H,19,27)(H,20,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
0.430n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochem Pharmacol 43: 1089-93 (1992)


BindingDB Entry DOI: 10.7270/Q20863S6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.450n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)


BindingDB Entry DOI: 10.7270/Q26H4FXN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
0.490n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)


BindingDB Entry DOI: 10.7270/Q22V2DMN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50006730
PNG
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)
Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.510n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)


BindingDB Entry DOI: 10.7270/Q22V2DMN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50085672
PNG
((2R,3R,4S,5R)-2-(6-Amino-2-cyclopentylamino-purin-...)
Show SMILES Nc1nc(NC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H22N6O4/c16-12-9-13(20-15(19-12)18-7-3-1-2-4-7)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H3,16,18,19,20)/t8-,10-,11-,14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.589n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochem Pharmacol 43: 1089-93 (1992)


BindingDB Entry DOI: 10.7270/Q20863S6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81787
PNG
(N6-Cyclopentyl-5'chloro Adenosine | N6-Cyclope...)
Show SMILES O[C@@H]1[C@@H](Cl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C14H18ClN5O3/c15-11-9(21)10(22)14(23-11)20-6-18-8-12(16-5-17-13(8)20)19-7-3-1-2-4-7/h5-7,9-11,14,21-22H,1-4H2,(H,16,17,19)/t9-,10+,11-,14+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
0.630n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochem Pharmacol 43: 1089-93 (1992)


BindingDB Entry DOI: 10.7270/Q20863S6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Pharmakologisches Institut, Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 337: 687-9 (1988)


BindingDB Entry DOI: 10.7270/Q2QC0216
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.17n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50006730
PNG
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)
Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Pharmakologisches Institut, Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 337: 687-9 (1988)


BindingDB Entry DOI: 10.7270/Q2QC0216
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009552
PNG
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.31n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208801
PNG
((2S,3S,4R,5R)-5-(6-amino-2-((S)-3-hydroxy-3-phenyl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15+,16-,17+,21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



National Institute of Mental Health

Curated by PDSP Ki Database




Mol Pharmacol 40: 1-7 (1991)


BindingDB Entry DOI: 10.7270/Q2W957PJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM85523
PNG
(6S, (S)-PHPNECA)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#C[C@H](O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15?,16?,17?,21?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81970
PNG
(CAS_108-91-8 | CHA | Cyclohexylamines)
Show SMILES NC1CCCCC1
Show InChI InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents


Similars

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



CIBA-Geigy Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 47-55 (1989)


BindingDB Entry DOI: 10.7270/Q2B856MX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50041905
PNG
(5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-puri...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Università di Camerino

Curated by PDSP Ki Database




Bioorg Med Chem 5: 2267-75 (1997)


Article DOI: 10.1111/cbdd.12539
BindingDB Entry DOI: 10.7270/Q24Q7SJF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82013
PNG
(8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihyd...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.51n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50041905
PNG
(5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-puri...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50041906
PNG
(2-substituted NECA derivatives, 5 | 5-[6-Amino-2-(...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)O
Show InChI InChI=1S/C16H20N6O5/c1-3-18-15(26)12-10(24)11(25)16(27-12)22-6-19-9-13(17)20-8(21-14(9)22)5-4-7(2)23/h6-7,10-12,16,23-25H,3H2,1-2H3,(H,18,26)(H2,17,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
3.5n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)


BindingDB Entry DOI: 10.7270/Q26H4FXN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PubMed
3.70n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)


BindingDB Entry DOI: 10.7270/Q22V2DMN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM85208
PNG
(S-PHPNECA)
Show SMILES CCNC(=O)[C@@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12?,15-,16+,17+,21?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by PDSP Ki Database




Bioorg Med Chem 5: 2267-75 (1997)


Article DOI: 10.1111/cbdd.12539
BindingDB Entry DOI: 10.7270/Q24Q7SJF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
4.40n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)


BindingDB Entry DOI: 10.7270/Q26H4FXN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82022
PNG
(2-(Phenylamino)ado (CV-1808) | 2-[6-Amino-2-(3-cyc...)
Show SMILES Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.62n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PubMed
5.10n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochem Pharmacol 43: 1089-93 (1992)


BindingDB Entry DOI: 10.7270/Q20863S6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82039
PNG
(8-{4-[N-(3-Dimethylaminopropyl)-sulfonamido]phenyl...)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1
Show InChI InChI=1S/C19H26N6O4S/c1-23(2)11-5-10-20-30(28,29)14-8-6-13(7-9-14)12-15-21-16-17(22-15)24(3)19(27)25(4)18(16)26/h6-9,20H,5,10-12H2,1-4H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
5.59n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50031231
PNG
(2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)CC1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
5.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50115630
PNG
((2S,3R,4S)-5-[6-amino-2-(3-hydroxy-3-phenylprop-1-...)
Show SMILES CCNC(=O)[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12?,15-,16+,17+,21?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.90n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by PDSP Ki Database




Bioorg Med Chem 5: 2267-75 (1997)


Article DOI: 10.1111/cbdd.12539
BindingDB Entry DOI: 10.7270/Q24Q7SJF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50118807
PNG
(2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TE...)
Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
5.90n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochem Pharmacol 43: 1089-93 (1992)


BindingDB Entry DOI: 10.7270/Q20863S6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PubMed
6.26n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)


BindingDB Entry DOI: 10.7270/Q22V2DMN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82048
PNG
(Ado-5'-cyclopropylcarboxamide)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H18N6O4/c15-11-8-12(18-4-17-11)20(5-19-8)14-10(22)9(21)7(24-14)3-16-13(23)6-1-2-6/h4-7,9-10,14,21-22H,1-3H2,(H,16,23)(H2,15,17,18)/t7-,9-,10-,14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
6.44n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82013
PNG
(8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihyd...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
6.80n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)


BindingDB Entry DOI: 10.7270/Q2RB7334
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82024
PNG
(N6-(3-Hydroxypropyl)ado)
Show SMILES Nc1nc(NCCCO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H20N6O5/c14-10-7-11(18-13(17-10)15-2-1-3-20)19(5-16-7)12-9(23)8(22)6(4-21)24-12/h5-6,8-9,12,20-23H,1-4H2,(H3,14,15,17,18)/t6-,8-,9-,12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
7.01n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM85524
PNG
(2-substituted NECA derivatives, 8)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCOc1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(30)17-15(28)16(29)21(32-17)27-11-24-14-18(22)25-13(26-19(14)27)9-6-10-31-12-7-4-3-5-8-12/h3-5,7-8,11,15-17,21,28-29H,2,10H2,1H3,(H,23,30)(H2,22,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by PDSP Ki Database




Bioorg Med Chem 15: 3235-40 (2007)


Article DOI: 10.1016/j.bmc.2007.02.043
BindingDB Entry DOI: 10.7270/Q28G8J9M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82540
PNG
(CAS_146-80-5 | NSC_1190 | Xanthosine)
Show SMILES OC1C(COP(O)(O)=O)OC(C1O)n1cnc2c1[nH]c(=O)[nH]c2=O
Show InChI InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
9.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009525
PNG
(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
9.33n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50041912
PNG
(2-substituted NECA derivatives, 7 | 5-[6-Amino-2-(...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)(O)c1ccccc1
Show InChI InChI=1S/C22H24N6O5/c1-3-24-20(31)17-15(29)16(30)21(33-17)28-11-25-14-18(23)26-13(27-19(14)28)9-10-22(2,32)12-7-5-4-6-8-12/h4-8,11,15-17,21,29-30,32H,3H2,1-2H3,(H,24,31)(H2,23,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.40n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PubMed
10n/an/an/an/an/an/an/an/a



CIBA-Geigy Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 47-55 (1989)


BindingDB Entry DOI: 10.7270/Q2B856MX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82025
PNG
(1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
10.2n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
10.9n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50034533
PNG
(2-substituted NECA derivatives, 11 | 5-(6-Amino-2-...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1nccs1
Show InChI InChI=1S/C17H17N7O4S/c1-2-19-16(27)13-11(25)12(26)17(28-13)24-7-21-10-14(18)22-8(23-15(10)24)3-4-9-20-5-6-29-9/h5-7,11-13,17,25-26H,2H2,1H3,(H,19,27)(H2,18,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50096295
PNG
(Uridine | Uridine dinucleoside 5'-polyphosphate an...)
Show SMILES OC1C(O)C(OC1COP([O-])(=O)OP(O)([O-])=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
14.3n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50006730
PNG
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)
Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
15.2n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 115: 1096-102 (1995)


BindingDB Entry DOI: 10.7270/Q2377766
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 222 total )  |  Next  |  Last  >>
Jump to: