BindingDB logo
myBDB logout

20 similar compounds to monomer 50330987

Compile data set for download or QSAR
Wt: 273.2
BDBM50161342
Wt: 356.4
BDBM50316992
Wt: 374.4
BDBM50316993
Wt: 384.4
BDBM50316994
Wt: 393.4
BDBM50316996
Wt: 387.4
BDBM50317006
Wt: 358.4
BDBM50317017
Wt: 370.4
BDBM50317018
Wt: 384.4
BDBM50317021
Wt: 401.4
BDBM50316869
Wt: 429.5
BDBM50316870
Wt: 415.4
BDBM50316871
Wt: 427.4
BDBM50316873
Wt: 441.5
BDBM50316874
Wt: 385.4
BDBM50316875
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50161342,50316992,50316993,50316994,50316996,50317006,50317017,50317018,50317021,50316869,50316870,50316871,50316873,50316874,50316875   
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 A2


(Homo sapiens (Human))
BDBM50161342
PNG
(2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50161342
PNG
(2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316992
PNG
(2-amino-4-phenyl-9-(pyrrolidin-1-ylmethyl)-5H-inde...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C22H20N4O/c23-22-24-19(14-7-2-1-3-8-14)18-20(25-22)17-15(13-26-11-4-5-12-26)9-6-10-16(17)21(18)27/h1-3,6-10H,4-5,11-13H2,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316993
PNG
(2-amino-4-(4-fluorophenyl)-9-(pyrrolidin-1-ylmethy...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN4O/c23-15-8-6-13(7-9-15)19-18-20(26-22(24)25-19)17-14(12-27-10-1-2-11-27)4-3-5-16(17)21(18)28/h3-9H,1-2,10-12H2,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316996
PNG
(2-amino-4-phenyl-8-((pyridin-2-ylmethylamino)methy...)
Show SMILES Nc1nc2-c3cc(CNCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C24H19N5O/c25-24-28-21(16-6-2-1-3-7-16)20-22(29-24)19-12-15(9-10-18(19)23(20)30)13-26-14-17-8-4-5-11-27-17/h1-12,26H,13-14H2,(H2,25,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317006
PNG
(2-amino-8-(((2-(dimethylamino)ethyl)(methyl)amino)...)
Show SMILES CN(C)CCN(C)Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C23H25N5O/c1-27(2)11-12-28(3)14-15-9-10-17-18(13-15)21-19(22(17)29)20(25-23(24)26-21)16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316870
PNG
(2-amino-N-(2-(diethylamino)ethyl)-N-methyl-5-oxo-4...)
Show SMILES CCN(CC)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C25H27N5O2/c1-4-30(5-2)14-13-29(3)24(32)17-11-12-18-19(15-17)22-20(23(18)31)21(27-25(26)28-22)16-9-7-6-8-10-16/h6-12,15H,4-5,13-14H2,1-3H3,(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317021
PNG
(2-amino-9-(azepan-1-ylmethyl)-4-phenyl-5H-indeno[1...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCCCC3)C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O/c25-24-26-21(16-9-4-3-5-10-16)20-22(27-24)19-17(11-8-12-18(19)23(20)29)15-28-13-6-1-2-7-14-28/h3-5,8-12H,1-2,6-7,13-15H2,(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316994
PNG
(2-amino-9-((2,5-dimethylpyrrolidin-1-yl)methyl)-4-...)
Show SMILES CC1CCC(C)N1Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
Show InChI InChI=1S/C24H24N4O/c1-14-11-12-15(2)28(14)13-17-9-6-10-18-19(17)22-20(23(18)29)21(26-24(25)27-22)16-7-4-3-5-8-16/h3-10,14-15H,11-13H2,1-2H3,(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316875
PNG
(2-amino-4-phenyl-8-(piperazine-1-carbonyl)-5H-inde...)
Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)N1CCNCC1
Show InChI InChI=1S/C22H19N5O2/c23-22-25-18(13-4-2-1-3-5-13)17-19(26-22)16-12-14(6-7-15(16)20(17)28)21(29)27-10-8-24-9-11-27/h1-7,12,24H,8-11H2,(H2,23,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316869
PNG
(2-amino-N-(2-(dimethylamino)ethyl)-N-methyl-5-oxo-...)
Show SMILES CN(C)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C23H23N5O2/c1-27(2)11-12-28(3)22(30)15-9-10-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316871
PNG
(2-amino-N-(2-(diethylamino)ethyl)-5-oxo-4-phenyl-5...)
Show SMILES CCN(CC)CCNC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C24H25N5O2/c1-3-29(4-2)13-12-26-23(31)16-10-11-17-18(14-16)21-19(22(17)30)20(27-24(25)28-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,26,31)(H2,25,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317018
PNG
(2-amino-4-phenyl-9-(piperidin-1-ylmethyl)-5H-inden...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCCC3)C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H22N4O/c24-23-25-20(15-8-3-1-4-9-15)19-21(26-23)18-16(10-7-11-17(18)22(19)28)14-27-12-5-2-6-13-27/h1,3-4,7-11H,2,5-6,12-14H2,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316874
PNG
(2-amino-N-(1-isopropylpiperidin-4-yl)-5-oxo-4-phen...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C26H27N5O2/c1-15(2)31-12-10-18(11-13-31)28-25(33)17-8-9-19-20(14-17)23-21(24(19)32)22(29-26(27)30-23)16-6-4-3-5-7-16/h3-9,14-15,18H,10-13H2,1-2H3,(H,28,33)(H2,27,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16.8n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317017
PNG
(2-amino-9-((diethylamino)methyl)-4-phenyl-5H-inden...)
Show SMILES CCN(CC)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
Show InChI InChI=1S/C22H22N4O/c1-3-26(4-2)13-15-11-8-12-16-17(15)20-18(21(16)27)19(24-22(23)25-20)14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316873
PNG
(2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C25H25N5O2/c1-29-12-10-17(11-13-29)30(2)24(32)16-8-9-18-19(14-16)22-20(23(18)31)21(27-25(26)28-22)15-6-4-3-5-7-15/h3-9,14,17H,10-13H2,1-2H3,(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18.6n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50317006
PNG
(2-amino-8-(((2-(dimethylamino)ethyl)(methyl)amino)...)
Show SMILES CN(C)CCN(C)Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C23H25N5O/c1-27(2)11-12-28(3)14-15-9-10-17-18(13-15)21-19(22(17)29)20(25-23(24)26-21)16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H2,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316996
PNG
(2-amino-4-phenyl-8-((pyridin-2-ylmethylamino)methy...)
Show SMILES Nc1nc2-c3cc(CNCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C24H19N5O/c25-24-28-21(16-6-2-1-3-7-16)20-22(29-24)19-12-15(9-10-18(19)23(20)30)13-26-14-17-8-4-5-11-27-17/h1-12,26H,13-14H2,(H2,25,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
26.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316875
PNG
(2-amino-4-phenyl-8-(piperazine-1-carbonyl)-5H-inde...)
Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)N1CCNCC1
Show InChI InChI=1S/C22H19N5O2/c23-22-25-18(13-4-2-1-3-5-13)17-19(26-22)16-12-14(6-7-15(16)20(17)28)21(29)27-10-8-24-9-11-27/h1-7,12,24H,8-11H2,(H2,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
32.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50317018
PNG
(2-amino-4-phenyl-9-(piperidin-1-ylmethyl)-5H-inden...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCCC3)C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H22N4O/c24-23-25-20(15-8-3-1-4-9-15)19-21(26-23)18-16(10-7-11-17(18)22(19)28)14-27-12-5-2-6-13-27/h1,3-4,7-11H,2,5-6,12-14H2,(H2,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
40.8n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316871
PNG
(2-amino-N-(2-(diethylamino)ethyl)-5-oxo-4-phenyl-5...)
Show SMILES CCN(CC)CCNC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C24H25N5O2/c1-3-29(4-2)13-12-26-23(31)16-10-11-17-18(14-16)21-19(22(17)30)20(27-24(25)28-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,26,31)(H2,25,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
45.2n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316993
PNG
(2-amino-4-(4-fluorophenyl)-9-(pyrrolidin-1-ylmethy...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN4O/c23-15-8-6-13(7-9-15)19-18-20(26-22(24)25-19)17-14(12-27-10-1-2-11-27)4-3-5-16(17)21(18)28/h3-9H,1-2,10-12H2,(H2,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
85n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316870
PNG
(2-amino-N-(2-(diethylamino)ethyl)-N-methyl-5-oxo-4...)
Show SMILES CCN(CC)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C25H27N5O2/c1-4-30(5-2)14-13-29(3)24(32)17-11-12-18-19(15-17)22-20(23(18)31)21(27-25(26)28-22)16-9-7-6-8-10-16/h6-12,15H,4-5,13-14H2,1-3H3,(H2,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
94.7n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50317021
PNG
(2-amino-9-(azepan-1-ylmethyl)-4-phenyl-5H-indeno[1...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCCCC3)C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O/c25-24-26-21(16-9-4-3-5-10-16)20-22(27-24)19-17(11-8-12-18(19)23(20)29)15-28-13-6-1-2-7-14-28/h3-5,8-12H,1-2,6-7,13-15H2,(H2,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
95.2n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50317017
PNG
(2-amino-9-((diethylamino)methyl)-4-phenyl-5H-inden...)
Show SMILES CCN(CC)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
Show InChI InChI=1S/C22H22N4O/c1-3-26(4-2)13-15-11-8-12-16-17(15)20-18(21(16)27)19(24-22(23)25-20)14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H2,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
107n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316992
PNG
(2-amino-4-phenyl-9-(pyrrolidin-1-ylmethyl)-5H-inde...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C22H20N4O/c23-22-24-19(14-7-2-1-3-8-14)18-20(25-22)17-15(13-26-11-4-5-12-26)9-6-10-16(17)21(18)27/h1-3,6-10H,4-5,11-13H2,(H2,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
116n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316874
PNG
(2-amino-N-(1-isopropylpiperidin-4-yl)-5-oxo-4-phen...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C26H27N5O2/c1-15(2)31-12-10-18(11-13-31)28-25(33)17-8-9-19-20(14-17)23-21(24(19)32)22(29-26(27)30-23)16-6-4-3-5-7-16/h3-9,14-15,18H,10-13H2,1-2H3,(H,28,33)(H2,27,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
119n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316994
PNG
(2-amino-9-((2,5-dimethylpyrrolidin-1-yl)methyl)-4-...)
Show SMILES CC1CCC(C)N1Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
Show InChI InChI=1S/C24H24N4O/c1-14-11-12-15(2)28(14)13-17-9-6-10-18-19(17)22-20(23(18)29)21(26-24(25)27-22)16-7-4-3-5-8-16/h3-10,14-15H,11-13H2,1-2H3,(H2,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316869
PNG
(2-amino-N-(2-(dimethylamino)ethyl)-N-methyl-5-oxo-...)
Show SMILES CN(C)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C23H23N5O2/c1-27(2)11-12-28(3)22(30)15-9-10-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
208n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316873
PNG
(2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C25H25N5O2/c1-29-12-10-17(11-13-29)30(2)24(32)16-8-9-18-19(14-16)22-20(23(18)31)21(27-25(26)28-22)15-6-4-3-5-7-15/h3-9,14,17H,10-13H2,1-2H3,(H2,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
258n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair