BindingDB logo
myBDB logout

47 similar compounds to monomer 50453508

Compile data set for download or QSAR
Wt: 426.4
BDBM50452314
Wt: 440.4
BDBM50452317
Wt: 440.4
BDBM50452321
Wt: 426.4
BDBM50452322
Wt: 560.6
BDBM50453502
Wt: 545.6
BDBM50453503
Wt: 595.6
BDBM50453504
Wt: 616.1
BDBM50453505
Wt: 555.6
BDBM50453506
Wt: 541.6
BDBM50453509
Wt: 603.6
BDBM50453498
Wt: 598.6
BDBM50453511
Wt: 554.5
BDBM50453510
Wt: 521.5
BDBM50453512
Wt: 463.4
BDBM50453499
Displayed 1 to 15 (of 47 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50452314,50452317,50452321,50452322,50453502,50453503,50453504,50453505,50453506,50453509,50453498,50453511,50453510,50453512,50453499   
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))
BDBM50453502
PNG
(CHEMBL2113573)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(CCN4CCCC4)c4ccccc34)ncnc12
Show InChI InChI=1S/C29H36N8O4/c38-23-24(39)29(41-25(23)28(40)34-19-7-8-19)37-17-33-22-26(31-16-32-27(22)37)30-10-9-18-15-36(14-13-35-11-3-4-12-35)21-6-2-1-5-20(18)21/h1-2,5-6,15-17,19,23-25,29,38-39H,3-4,7-14H2,(H,34,40)(H,30,31,32)/t23-,24+,25-,29+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Carpibem

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.


J Med Chem 37: 4307-16 (1995)


Article DOI: 10.1021/jm00051a007
BindingDB Entry DOI: 10.7270/Q2J38T68
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453499
PNG
(CHEMBL2113598)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3c[nH]c4ccccc34)ncnc12
Show InChI InChI=1S/C23H25N7O4/c31-17-18(32)23(34-19(17)22(33)29-13-5-6-13)30-11-28-16-20(26-10-27-21(16)30)24-8-7-12-9-25-15-4-2-1-3-14(12)15/h1-4,9-11,13,17-19,23,25,31-32H,5-8H2,(H,29,33)(H,24,26,27)/t17-,18+,19-,23+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.90n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membrane


J Med Chem 37: 4307-16 (1995)


Article DOI: 10.1021/jm00051a007
BindingDB Entry DOI: 10.7270/Q2J38T68
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453512
PNG
(CHEMBL2113599)
Show SMILES COCCn1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12
Show InChI InChI=1S/C26H31N7O5/c1-37-11-10-32-12-15(17-4-2-3-5-18(17)32)8-9-27-23-19-24(29-13-28-23)33(14-30-19)26-21(35)20(34)22(38-26)25(36)31-16-6-7-16/h2-5,12-14,16,20-22,26,34-35H,6-11H2,1H3,(H,31,36)(H,27,28,29)/t20-,21+,22-,26+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.


J Med Chem 37: 4307-16 (1995)


Article DOI: 10.1021/jm00051a007
BindingDB Entry DOI: 10.7270/Q2J38T68
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453510
PNG
(CHEMBL2113586)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4cccnc4)c4ccccc34)ncnc12
Show InChI InChI=1S/C29H30N8O4/c38-23-24(39)29(41-25(23)28(40)35-19-7-8-19)37-16-34-22-26(32-15-33-27(22)37)31-11-9-18-14-36(13-17-4-3-10-30-12-17)21-6-2-1-5-20(18)21/h1-6,10,12,14-16,19,23-25,29,38-39H,7-9,11,13H2,(H,35,40)(H,31,32,33)/t23-,24+,25-,29+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Carpibem

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.


J Med Chem 37: 4307-16 (1995)


Article DOI: 10.1021/jm00051a007
BindingDB Entry DOI: 10.7270/Q2J38T68
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453511
PNG
(CHEMBL2113587)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4cccc(c4)[N+]([O-])=O)c4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N8O6/c39-24-25(40)30(44-26(24)29(41)35-19-8-9-19)37-16-34-23-27(32-15-33-28(23)37)31-11-10-18-14-36(22-7-2-1-6-21(18)22)13-17-4-3-5-20(12-17)38(42)43/h1-7,12,14-16,19,24-26,30,39-40H,8-11,13H2,(H,35,41)(H,31,32,33)/t24-,25+,26-,30+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
29n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.


J Med Chem 37: 4307-16 (1995)


Article DOI: 10.1021/jm00051a007
BindingDB Entry DOI: 10.7270/Q2J38T68
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453505
PNG
(CHEMBL2113589)
Show SMILES Cc1ccc(C)c(Cn2cc(CCNc3ncnc4n(cnc34)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3cc(Cl)ccc23)c1
Show InChI InChI=1S/C32H34ClN7O4/c1-17-3-4-18(2)20(11-17)14-39-13-19(23-12-21(33)5-8-24(23)39)9-10-34-29-25-30(36-15-35-29)40(16-37-25)32-27(42)26(41)28(44-32)31(43)38-22-6-7-22/h3-5,8,11-13,15-16,22,26-28,32,41-42H,6-7,9-10,14H2,1-2H3,(H,38,43)(H,34,35,36)/t26-,27+,28-,32+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
150n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.


J Med Chem 37: 4307-16 (1995)


Article DOI: 10.1021/jm00051a007
BindingDB Entry DOI: 10.7270/Q2J38T68
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453504
PNG
(CHEMBL2113591)
Show SMILES CC(CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1)c1cn(Cc2cc(C)ccc2C)c2ccccc12
Show InChI InChI=1S/C33H37N7O4/c1-18-8-9-19(2)21(12-18)14-39-15-24(23-6-4-5-7-25(23)39)20(3)13-34-30-26-31(36-16-35-30)40(17-37-26)33-28(42)27(41)29(44-33)32(43)38-22-10-11-22/h4-9,12,15-17,20,22,27-29,33,41-42H,10-11,13-14H2,1-3H3,(H,38,43)(H,34,35,36)/t20?,27-,28+,29-,33+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.


J Med Chem 37: 4307-16 (1995)


Article DOI: 10.1021/jm00051a007
BindingDB Entry DOI: 10.7270/Q2J38T68
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453498
PNG
(CHEMBL2113594)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4cccc5ccccc45)c4ccccc34)ncnc12
Show InChI InChI=1S/C34H33N7O4/c42-28-29(43)34(45-30(28)33(44)39-23-12-13-23)41-19-38-27-31(36-18-37-32(27)41)35-15-14-22-17-40(26-11-4-3-10-25(22)26)16-21-8-5-7-20-6-1-2-9-24(20)21/h1-11,17-19,23,28-30,34,42-43H,12-16H2,(H,39,44)(H,35,36,37)/t28-,29+,30-,34+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
370n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membrane


J Med Chem 37: 4307-16 (1995)


Article DOI: 10.1021/jm00051a007
BindingDB Entry DOI: 10.7270/Q2J38T68
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453509
PNG
(CHEMBL2113603)
Show SMILES Cc1ccc(C)c(Cn2cc(CCNc3ncnc4n(cnc34)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c3ccccc23)c1
Show InChI InChI=1S/C29H31N7O4/c1-16-7-8-17(2)19(11-16)13-35-12-18(20-5-3-4-6-21(20)35)9-10-31-27-22-28(33-14-32-27)36(15-34-22)29-24(38)23(37)25(40-29)26(30)39/h3-8,11-12,14-15,23-25,29,37-38H,9-10,13H2,1-2H3,(H2,30,39)(H,31,32,33)/t23-,24+,25-,29+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
510n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.


J Med Chem 37: 4307-16 (1995)


Article DOI: 10.1021/jm00051a007
BindingDB Entry DOI: 10.7270/Q2J38T68
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453503
PNG
(CHEMBL2113590)
Show SMILES Cc1c(CCNc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc2n1C1CCCC1
Show InChI InChI=1S/C29H35N7O4/c1-16-19(20-8-4-5-9-21(20)36(16)18-6-2-3-7-18)12-13-30-26-22-27(32-14-31-26)35(15-33-22)29-24(38)23(37)25(40-29)28(39)34-17-10-11-17/h4-5,8-9,14-15,17-18,23-25,29,37-38H,2-3,6-7,10-13H2,1H3,(H,34,39)(H,30,31,32)/t23-,24+,25-,29+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
895n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.


J Med Chem 37: 4307-16 (1995)


Article DOI: 10.1021/jm00051a007
BindingDB Entry DOI: 10.7270/Q2J38T68
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453506
PNG
(CHEMBL2113583)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4cc(C)ccc4C)c4ccccc34)ncnc12
Show InChI InChI=1S/C30H33N7O4/c1-17-8-9-18(2)20(12-17)14-36-13-19(21-6-4-5-7-22(21)36)10-11-32-27-23-28(34-15-33-27)37(16-35-23)30-25(39)24(38)26(41-30)29(40)31-3/h4-9,12-13,15-16,24-26,30,38-39H,10-11,14H2,1-3H3,(H,31,40)(H,32,33,34)/t24-,25+,26-,30+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.


J Med Chem 37: 4307-16 (1995)


Article DOI: 10.1021/jm00051a007
BindingDB Entry DOI: 10.7270/Q2J38T68
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50452321
PNG
(CHEMBL2093997)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](CC)Cc3ccccc3)ncnc12
Show InChI InChI=1S/C22H28N6O4/c1-3-14(10-13-8-6-5-7-9-13)27-19-15-20(25-11-24-19)28(12-26-15)22-17(30)16(29)18(32-22)21(31)23-4-2/h5-9,11-12,14,16-18,22,29-30H,3-4,10H2,1-2H3,(H,23,31)(H,24,25,27)/t14-,16-,17+,18-,22+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.90E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against human platelet A2 adenosine receptor


J Med Chem 29: 1683-9 (1986)


Article DOI: 10.1021/jm00159a020
BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50452322
PNG
(CHEMBL2093998)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12
Show InChI InChI=1S/C21H26N6O4/c1-3-22-20(30)17-15(28)16(29)21(31-17)27-11-25-14-18(23-10-24-19(14)27)26-12(2)9-13-7-5-4-6-8-13/h4-8,10-12,15-17,21,28-29H,3,9H2,1-2H3,(H,22,30)(H,23,24,26)/t12-,15+,16-,17+,21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.10E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against human platelet A2 adenosine receptor


J Med Chem 29: 1683-9 (1986)


Article DOI: 10.1021/jm00159a020
BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50452317
PNG
(CHEMBL2094085)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](CC)Cc3ccccc3)ncnc12
Show InChI InChI=1S/C22H28N6O4/c1-3-14(10-13-8-6-5-7-9-13)27-19-15-20(25-11-24-19)28(12-26-15)22-17(30)16(29)18(32-22)21(31)23-4-2/h5-9,11-12,14,16-18,22,29-30H,3-4,10H2,1-2H3,(H,23,31)(H,24,25,27)/t14-,16+,17-,18+,22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 750n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against human platelet A2 adenosine receptor


J Med Chem 29: 1683-9 (1986)


Article DOI: 10.1021/jm00159a020
BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50452314
PNG
(CHEMBL2094082)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](C)Cc3ccccc3)ncnc12
Show InChI InChI=1S/C21H26N6O4/c1-3-22-20(30)17-15(28)16(29)21(31-17)27-11-25-14-18(23-10-24-19(14)27)26-12(2)9-13-7-5-4-6-8-13/h4-8,10-12,15-17,21,28-29H,3,9H2,1-2H3,(H,22,30)(H,23,24,26)/t12-,15-,16+,17-,21+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.80E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against human platelet A2 adenosine receptor


J Med Chem 29: 1683-9 (1986)


Article DOI: 10.1021/jm00159a020
BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50452317
PNG
(CHEMBL2094085)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](CC)Cc3ccccc3)ncnc12
Show InChI InChI=1S/C22H28N6O4/c1-3-14(10-13-8-6-5-7-9-13)27-19-15-20(25-11-24-19)28(12-26-15)22-17(30)16(29)18(32-22)21(31)23-4-2/h5-9,11-12,14,16-18,22,29-30H,3-4,10H2,1-2H3,(H,23,31)(H,24,25,27)/t14-,16+,17-,18+,22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 820n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against PC12 cell A2 adenosine receptor by adenylate cyclase activation


J Med Chem 29: 1683-9 (1986)


Article DOI: 10.1021/jm00159a020
BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50452314
PNG
(CHEMBL2094082)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](C)Cc3ccccc3)ncnc12
Show InChI InChI=1S/C21H26N6O4/c1-3-22-20(30)17-15(28)16(29)21(31-17)27-11-25-14-18(23-10-24-19(14)27)26-12(2)9-13-7-5-4-6-8-13/h4-8,10-12,15-17,21,28-29H,3,9H2,1-2H3,(H,22,30)(H,23,24,26)/t12-,15-,16+,17-,21+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.20E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against PC12 cell A2 adenosine receptor by adenylate cyclase activation


J Med Chem 29: 1683-9 (1986)


Article DOI: 10.1021/jm00159a020
BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50452322
PNG
(CHEMBL2093998)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12
Show InChI InChI=1S/C21H26N6O4/c1-3-22-20(30)17-15(28)16(29)21(31-17)27-11-25-14-18(23-10-24-19(14)27)26-12(2)9-13-7-5-4-6-8-13/h4-8,10-12,15-17,21,28-29H,3,9H2,1-2H3,(H,22,30)(H,23,24,26)/t12-,15+,16-,17+,21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 980n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against PC12 cell A2 adenosine receptor by adenylate cyclase activation


J Med Chem 29: 1683-9 (1986)


Article DOI: 10.1021/jm00159a020
BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50452317
PNG
(CHEMBL2094085)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](CC)Cc3ccccc3)ncnc12
Show InChI InChI=1S/C22H28N6O4/c1-3-14(10-13-8-6-5-7-9-13)27-19-15-20(25-11-24-19)28(12-26-15)22-17(30)16(29)18(32-22)21(31)23-4-2/h5-9,11-12,14,16-18,22,29-30H,3-4,10H2,1-2H3,(H,23,31)(H,24,25,27)/t14-,16+,17-,18+,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)


Article DOI: 10.1021/jm00159a020
BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50452322
PNG
(CHEMBL2093998)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12
Show InChI InChI=1S/C21H26N6O4/c1-3-22-20(30)17-15(28)16(29)21(31-17)27-11-25-14-18(23-10-24-19(14)27)26-12(2)9-13-7-5-4-6-8-13/h4-8,10-12,15-17,21,28-29H,3,9H2,1-2H3,(H,22,30)(H,23,24,26)/t12-,15+,16-,17+,21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)


Article DOI: 10.1021/jm00159a020
BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50452321
PNG
(CHEMBL2093997)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](CC)Cc3ccccc3)ncnc12
Show InChI InChI=1S/C22H28N6O4/c1-3-14(10-13-8-6-5-7-9-13)27-19-15-20(25-11-24-19)28(12-26-15)22-17(30)16(29)18(32-22)21(31)23-4-2/h5-9,11-12,14,16-18,22,29-30H,3-4,10H2,1-2H3,(H,23,31)(H,24,25,27)/t14-,16-,17+,18-,22+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.60E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against PC12 cell A2 adenosine receptor by adenylate cyclase activation


J Med Chem 29: 1683-9 (1986)


Article DOI: 10.1021/jm00159a020
BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50452314
PNG
(CHEMBL2094082)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](C)Cc3ccccc3)ncnc12
Show InChI InChI=1S/C21H26N6O4/c1-3-22-20(30)17-15(28)16(29)21(31-17)27-11-25-14-18(23-10-24-19(14)27)26-12(2)9-13-7-5-4-6-8-13/h4-8,10-12,15-17,21,28-29H,3,9H2,1-2H3,(H,22,30)(H,23,24,26)/t12-,15-,16+,17-,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 105n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)


Article DOI: 10.1021/jm00159a020
BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50452321
PNG
(CHEMBL2093997)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](CC)Cc3ccccc3)ncnc12
Show InChI InChI=1S/C22H28N6O4/c1-3-14(10-13-8-6-5-7-9-13)27-19-15-20(25-11-24-19)28(12-26-15)22-17(30)16(29)18(32-22)21(31)23-4-2/h5-9,11-12,14,16-18,22,29-30H,3-4,10H2,1-2H3,(H,23,31)(H,24,25,27)/t14-,16-,17+,18-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)


Article DOI: 10.1021/jm00159a020
BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair