new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 798 hits with Last Name = 'cappellacci' and Initial = 'l'   
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 A1 receptor


(BOVINE)
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

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



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity at Adenosine A1 receptor by inhibition of [3H]CHA binding to bovine brain cortical membranes.


J Med Chem 41: 1708-15 (1998)


Article DOI: 10.1021/jm9707737
BindingDB Entry DOI: 10.7270/Q2ZW1MKQ
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

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



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of [3H]CHA (N6-cyclohexyl adenosine) to rat brain membrane Adenosine A1 receptor


J Med Chem 45: 1196-202 (2002)


BindingDB Entry DOI: 10.7270/Q2542PB2
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
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 |r|
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


Bioorg Med Chem 16: 336-53 (2008)


Article DOI: 10.1016/j.bmc.2007.09.035
BindingDB Entry DOI: 10.7270/Q2T43TXM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078427
PNG
(CHEMBL3414941)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 |r|
Show InChI InChI=1/C15H18ClN9O3/c1-2-25-22-12(21-23-25)10-8(26)9(27)14(28-10)24-5-17-7-11(18-6-3-4-6)19-15(16)20-13(7)24/h5-6,8-10,14,26-27H,2-4H2,1H3,(H,18,19,20)/t8-,9+,10-,14+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.311n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50266666
PNG
(CHEMBL4105164)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.313n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
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 |r|
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

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane


Bioorg Med Chem 16: 336-53 (2008)


Article DOI: 10.1016/j.bmc.2007.09.035
BindingDB Entry DOI: 10.7270/Q2T43TXM
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50266664
PNG
(CHEMBL4059961)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.345n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
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 |r|
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

Article
PubMed
0.350n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity at Adenosine A1 receptor by inhibition of [3H]CHA binding to bovine brain cortical membranes.


J Med Chem 41: 1708-15 (1998)


Article DOI: 10.1021/jm9707737
BindingDB Entry DOI: 10.7270/Q2ZW1MKQ
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50266649
PNG
(CHEMBL4071338)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.386n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50266650
PNG
(CHEMBL4098377)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.387n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50266651
PNG
(CHEMBL4081876)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.393n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
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

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



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane


Bioorg Med Chem 16: 336-53 (2008)


Article DOI: 10.1016/j.bmc.2007.09.035
BindingDB Entry DOI: 10.7270/Q2T43TXM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50078425
PNG
(CHEMBL3414939)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12 |r|
Show InChI InChI=1/C13H16ClN9O3/c1-3-23-20-10(19-21-23)8-6(24)7(25)12(26-8)22-4-16-5-9(15-2)17-13(14)18-11(5)22/h4,6-8,12,24-25H,3H2,1-2H3,(H,15,17,18)/t6-,7+,8-,12+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.429n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078538
PNG
(CHEMBL3414946)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 |r|
Show InChI InChI=1/C18H17ClFN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-23-11-15(21-6-22-17(11)28)24-10-4-3-8(19)5-9(10)20/h3-7,12-14,18,30-31H,2H2,1H3,(H,21,22,24)/t12-,13+,14-,18+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.432n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50266662
PNG
(CHEMBL4087306)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.438n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078428
PNG
(CHEMBL3414942)
Show SMILES [H][C@@]12CC[C@]([H])(C1)[C@H](C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)c1nnn(CC)n1 |r|
Show InChI InChI=1/C19H25N9O3/c1-2-28-25-17(24-26-28)15-13(29)14(30)19(31-15)27-8-22-12-16(20-7-21-18(12)27)23-11-6-9-3-4-10(11)5-9/h7-11,13-15,19,29-30H,2-6H2,1H3,(H,20,21,23)/t9-,10-,11+,13+,14-,15+,19-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.453n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50266666
PNG
(CHEMBL4105164)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.454n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine A1 receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
0.460n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50078427
PNG
(CHEMBL3414941)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 |r|
Show InChI InChI=1/C15H18ClN9O3/c1-2-25-22-12(21-23-25)10-8(26)9(27)14(28-10)24-5-17-7-11(18-6-3-4-6)19-15(16)20-13(7)24/h5-6,8-10,14,26-27H,2-4H2,1H3,(H,18,19,20)/t8-,9+,10-,14+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.461n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50078424
PNG
(CHEMBL3414938)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 |r|
Show InChI InChI=1/C13H17N9O3/c1-3-22-19-11(18-20-22)9-7(23)8(24)13(25-9)21-5-17-6-10(14-2)15-4-16-12(6)21/h4-5,7-9,13,23-24H,3H2,1-2H3,(H,14,15,16)/t7-,8+,9-,13+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.478n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50267395
PNG
(5'-chloro-5'-deoxy-N6-((-endo-norborn-2-yl)adenosi...)
Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21|
Show InChI InChI=1S/C17H22ClN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)/t8?,9?,10?,11-,13-,14-,17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.510n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


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


J Med Chem 52: 2393-406 (2009)


Article DOI: 10.1021/jm801456g
BindingDB Entry DOI: 10.7270/Q2C8296Z
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
0.530n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


Bioorg Med Chem 16: 336-53 (2008)


Article DOI: 10.1016/j.bmc.2007.09.035
BindingDB Entry DOI: 10.7270/Q2T43TXM
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50266652
PNG
(CHEMBL4078479)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.532n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50078427
PNG
(CHEMBL3414941)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 |r|
Show InChI InChI=1/C15H18ClN9O3/c1-2-25-22-12(21-23-25)10-8(26)9(27)14(28-10)24-5-17-7-11(18-6-3-4-6)19-15(16)20-13(7)24/h5-6,8-10,14,26-27H,2-4H2,1H3,(H,18,19,20)/t8-,9+,10-,14+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.538n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50267577
PNG
(CHEMBL489640 | N6-((+/-)-endo-norborn-2-yl)adenosi...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21|
Show InChI InChI=1S/C17H23N5O4/c23-5-11-13(24)14(25)17(26-11)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.540n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


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


J Med Chem 52: 2393-406 (2009)


Article DOI: 10.1021/jm801456g
BindingDB Entry DOI: 10.7270/Q2C8296Z
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50266662
PNG
(CHEMBL4087306)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.575n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50078421
PNG
(CHEMBL3414948)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3I)nc(Cl)nc12 |r|
Show InChI InChI=1/C19H19ClIN9O3/c1-2-30-27-16(26-28-30)14-12(31)13(32)18(33-14)29-8-23-11-15(24-19(20)25-17(11)29)22-7-9-5-3-4-6-10(9)21/h3-6,8,12-14,18,31-32H,2,7H2,1H3,(H,22,24,25)/t12-,13+,14-,18+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.588n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50267393
PNG
(CHEMBL477444 | N6-Cyclopentyl-9H-(5-chloro-5-deoxy...)
Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
Show InChI InChI=1S/C15H20ClN5O3/c16-5-9-11(22)12(23)15(24-9)21-7-19-10-13(17-6-18-14(10)21)20-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,17,18,20)/t9-,11-,12-,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.590n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


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


J Med Chem 52: 2393-406 (2009)


Article DOI: 10.1021/jm801456g
BindingDB Entry DOI: 10.7270/Q2C8296Z
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 |r|
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

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



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of [3H]CHA (N6-cyclohexyl adenosine) to rat brain membrane Adenosine A1 receptor


J Med Chem 45: 1196-202 (2002)


BindingDB Entry DOI: 10.7270/Q2542PB2
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
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 |r|
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

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



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity at Adenosine A1 receptor by inhibition of [3H]CHA binding to bovine brain cortical membranes.


J Med Chem 41: 1708-15 (1998)


Article DOI: 10.1021/jm9707737
BindingDB Entry DOI: 10.7270/Q2ZW1MKQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078426
PNG
(CHEMBL3414940)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 |r|
Show InChI InChI=1/C15H19N9O3/c1-2-24-21-13(20-22-24)11-9(25)10(26)15(27-11)23-6-18-8-12(19-7-3-4-7)16-5-17-14(8)23/h5-7,9-11,15,25-26H,2-4H2,1H3,(H,16,17,19)/t9-,10+,11-,15+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.682n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50267578
PNG
(2-Chloro-N6-(+/-)-endo-norbornyl-9H-(beta-D-ribofu...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:14:15:19.18:21|
Show InChI InChI=1S/C17H22ClN5O4/c18-17-21-14(20-9-4-7-1-2-8(9)3-7)11-15(22-17)23(6-19-11)16-13(26)12(25)10(5-24)27-16/h6-10,12-13,16,24-26H,1-5H2,(H,20,21,22)/t7?,8?,9?,10-,12-,13-,16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.710n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


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


J Med Chem 52: 2393-406 (2009)


Article DOI: 10.1021/jm801456g
BindingDB Entry DOI: 10.7270/Q2C8296Z
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078429
PNG
(CHEMBL3414943)
Show SMILES [H][C@@]12CC[C@]([H])(C1)[C@H](C2)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)c1nnn(CC)n1 |r|
Show InChI InChI=1/C19H24ClN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-21-11-15(23-19(20)24-17(11)28)22-10-6-8-3-4-9(10)5-8/h7-10,12-14,18,30-31H,2-6H2,1H3,(H,22,23,24)/t8-,9-,10+,12+,13-,14+,18-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.728n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50266652
PNG
(CHEMBL4078479)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.768n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
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 |r|
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

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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



Universit£ di Camerino

Curated by ChEMBL


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


Bioorg Med Chem 16: 336-53 (2008)


Article DOI: 10.1016/j.bmc.2007.09.035
BindingDB Entry DOI: 10.7270/Q2T43TXM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50162482
PNG
(5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahy...)
Show SMILES O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C14H18ClN5O4/c15-14-18-10(17-6-3-1-2-4-6)7-11(19-14)20(5-16-7)12-8(21)9(22)13(23)24-12/h5-6,8-9,12-13,21-23H,1-4H2,(H,17,18,19)/t8-,9+,12-,13+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A1 receptor subtype expressed in CHO cells


J Med Chem 48: 1550-62 (2005)


Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50266663
PNG
(CHEMBL4079433)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.806n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50078426
PNG
(CHEMBL3414940)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 |r|
Show InChI InChI=1/C15H19N9O3/c1-2-24-21-13(20-22-24)11-9(25)10(26)15(27-11)23-6-18-8-12(19-7-3-4-7)16-5-17-14(8)23/h5-7,9-11,15,25-26H,2-4H2,1H3,(H,16,17,19)/t9-,10+,11-,15+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.864n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50078426
PNG
(CHEMBL3414940)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 |r|
Show InChI InChI=1/C15H19N9O3/c1-2-24-21-13(20-22-24)11-9(25)10(26)15(27-11)23-6-18-8-12(19-7-3-4-7)16-5-17-14(8)23/h5-7,9-11,15,25-26H,2-4H2,1H3,(H,16,17,19)/t9-,10+,11-,15+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.875n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078422
PNG
(CHEMBL3414936)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1/C12H15N9O3/c1-2-21-18-10(17-19-21)8-6(22)7(23)12(24-8)20-4-16-5-9(13)14-3-15-11(5)20/h3-4,6-8,12,22-23H,2H2,1H3,(H2,13,14,15)/t6-,7+,8-,12+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.919n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50266651
PNG
(CHEMBL4081876)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.950n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078423
PNG
(CHEMBL3414937)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 |r|
Show InChI InChI=1/C12H14ClN9O3/c1-2-22-19-9(18-20-22)7-5(23)6(24)11(25-7)21-3-15-4-8(14)16-12(13)17-10(4)21/h3,5-7,11,23-24H,2H2,1H3,(H2,14,16,17)/t5-,6+,7-,11+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.966n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078537
PNG
(CHEMBL3414945)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)nc(Cl)nc12 |r|
Show InChI InChI=1/C16H20ClN9O4/c1-2-26-23-13(22-24-26)11-9(27)10(28)15(30-11)25-6-18-8-12(19-7-4-3-5-29-7)20-16(17)21-14(8)25/h6-7,9-11,15,27-28H,2-5H2,1H3,(H,19,20,21)/t7?,9-,10+,11-,15+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078430
PNG
(CHEMBL3414944)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)ncnc12 |r|
Show InChI InChI=1/C16H21N9O4/c1-2-25-22-14(21-23-25)12-10(26)11(27)16(29-12)24-7-19-9-13(17-6-18-15(9)24)20-8-4-3-5-28-8/h6-8,10-12,16,26-27H,2-5H2,1H3,(H,17,18,20)/t8?,10-,11+,12-,16+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50266648
PNG
(CHEMBL4097468)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50266645
PNG
(CHEMBL4086325)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50266649
PNG
(CHEMBL4071338)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50267394
PNG
(2,5'-dichloro-5'-deoxy-N6-cyclopentyladenosine | C...)
Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C15H19Cl2N5O3/c16-5-8-10(23)11(24)14(25-8)22-6-18-9-12(19-7-3-1-2-4-7)20-15(17)21-13(9)22/h6-8,10-11,14,23-24H,1-5H2,(H,19,20,21)/t8-,10-,11-,14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


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


J Med Chem 52: 2393-406 (2009)


Article DOI: 10.1021/jm801456g
BindingDB Entry DOI: 10.7270/Q2C8296Z
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50267396
PNG
(2-Chloro-N6-(+/-)-endo-norbornyl-9H-(5-chloro-5-de...)
Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:14:15:19.18:21|
Show InChI InChI=1S/C17H21Cl2N5O3/c18-5-10-12(25)13(26)16(27-10)24-6-20-11-14(22-17(19)23-15(11)24)21-9-4-7-1-2-8(9)3-7/h6-10,12-13,16,25-26H,1-5H2,(H,21,22,23)/t7?,8?,9?,10-,12-,13-,16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


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


J Med Chem 52: 2393-406 (2009)


Article DOI: 10.1021/jm801456g
BindingDB Entry DOI: 10.7270/Q2C8296Z
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50266647
PNG
(CHEMBL4076561)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.60n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL




J Med Chem 60: 4327-4341 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00291
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 798 total )  |  Next  |  Last  >>
Jump to: