Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50033130 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340052
(5-amino-2-benzyl-7-vinyl-2H-pyrazolo[4,3-e][1,2,4]...)Show InChI InChI=1S/C15H13N7O/c1-2-20-12-11(8-17-20)13-19-21(9-10-6-4-3-5-7-10)15(23)22(13)14(16)18-12/h2-8H,1,9H2,(H2,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340051
(5-amino-2-(3-chlorobenzyl)-7-vinyl-2H-pyrazolo[4,3...)Show SMILES Nc1nc2n(C=C)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12 Show InChI InChI=1S/C15H12ClN7O/c1-2-21-12-11(7-18-21)13-20-22(15(24)23(13)14(17)19-12)8-9-4-3-5-10(16)6-9/h2-7H,1,8H2,(H2,17,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340053
(11-amino-2-benzyl-4,5-dihydrobenzo[h][1,2,4]triazo...)Show InChI InChI=1S/C20H17N5O/c21-19-22-17-15-9-5-4-8-14(15)10-11-16(17)18-23-24(20(26)25(18)19)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340057
(5-amino-2-benzyl-7-phenyl-[1,2,4]triazolo[4,3-c]py...)Show InChI InChI=1S/C18H15N5O/c19-17-20-15(14-9-5-2-6-10-14)11-16-21-22(18(24)23(16)17)12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340049
(5-amino-2-(3-chlorobenzyl)-7-(2-(dimethylamino)eth...)Show SMILES CN(C)CCn1ncc2c3nn(Cc4cccc(Cl)c4)c(=O)n3c(N)nc12 Show InChI InChI=1S/C17H19ClN8O/c1-23(2)6-7-24-14-13(9-20-24)15-22-25(17(27)26(15)16(19)21-14)10-11-4-3-5-12(18)8-11/h3-5,8-9H,6-7,10H2,1-2H3,(H2,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340043
(5-amino-2-(3-chlorobenzyl)-7-(2-(4-morpholinopiper...)Show SMILES Nc1nc2n(CCN3CCC(CC3)N3CCOCC3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12 Show InChI InChI=1S/C24H30ClN9O2/c25-18-3-1-2-17(14-18)16-33-24(35)34-22(29-33)20-15-27-32(21(20)28-23(34)26)9-8-30-6-4-19(5-7-30)31-10-12-36-13-11-31/h1-3,14-15,19H,4-13,16H2,(H2,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50169307
(2-Furan-2-yl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimi...)Show InChI InChI=1S/C15H11N5O/c16-15-17-11(10-5-2-1-3-6-10)9-13-18-14(19-20(13)15)12-7-4-8-21-12/h1-9H,(H2,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340046
(7-(2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl)-5...)Show SMILES Nc1nc2n(CCN3CCC4(CC3)OCCO4)ncc2c2nn(Cc3ccccc3)c(=O)n12 Show InChI InChI=1S/C22H26N8O3/c23-20-25-18-17(19-26-29(21(31)30(19)20)15-16-4-2-1-3-5-16)14-24-28(18)11-10-27-8-6-22(7-9-27)32-12-13-33-22/h1-5,14H,6-13,15H2,(H2,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340042
(5-amino-2-benzyl-7-(2-(4-(methylsulfonyl)piperazin...)Show SMILES CS(=O)(=O)N1CCN(CCn2ncc3c4nn(Cc5ccccc5)c(=O)n4c(N)nc23)CC1 Show InChI InChI=1S/C20H25N9O3S/c1-33(31,32)26-10-7-25(8-11-26)9-12-27-17-16(13-22-27)18-24-28(14-15-5-3-2-4-6-15)20(30)29(18)19(21)23-17/h2-6,13H,7-12,14H2,1H3,(H2,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340048
(5-amino-2-benzyl-7-(2-morpholinoethyl)-2H-pyrazolo...)Show SMILES Nc1nc2n(CCN3CCOCC3)ncc2c2nn(Cc3ccccc3)c(=O)n12 Show InChI InChI=1S/C19H22N8O2/c20-18-22-16-15(12-21-25(16)7-6-24-8-10-29-11-9-24)17-23-26(19(28)27(17)18)13-14-4-2-1-3-5-14/h1-5,12H,6-11,13H2,(H2,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340041
(5-amino-2-(3-chlorobenzyl)-7-(2-(4-(methylsulfonyl...)Show SMILES CS(=O)(=O)N1CCN(CCn2ncc3c4nn(Cc5cccc(Cl)c5)c(=O)n4c(N)nc23)CC1 Show InChI InChI=1S/C20H24ClN9O3S/c1-34(32,33)27-8-5-26(6-9-27)7-10-28-17-16(12-23-28)18-25-29(20(31)30(18)19(22)24-17)13-14-3-2-4-15(21)11-14/h2-4,11-12H,5-10,13H2,1H3,(H2,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340045
(7-(2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl)-5...)Show SMILES Nc1nc2n(CCN3CCC4(CC3)OCCO4)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12 Show InChI InChI=1S/C22H25ClN8O3/c23-16-3-1-2-15(12-16)14-30-21(32)31-19(27-30)17-13-25-29(18(17)26-20(31)24)9-8-28-6-4-22(5-7-28)33-10-11-34-22/h1-3,12-13H,4-11,14H2,(H2,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340034
(5-amino-2-benzyl-7-(2-(4-(pyrazin-2-yl)piperazin-1...)Show SMILES Nc1nc2n(CCN3CCN(CC3)c3cnccn3)ncc2c2nn(Cc3ccccc3)c(=O)n12 Show InChI InChI=1S/C23H25N11O/c24-22-28-20-18(21-29-33(23(35)34(21)22)16-17-4-2-1-3-5-17)14-27-32(20)13-10-30-8-11-31(12-9-30)19-15-25-6-7-26-19/h1-7,14-15H,8-13,16H2,(H2,24,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340033
(5-amino-2-(3-chlorobenzyl)-7-(2-(4-(pyrazin-2-yl)p...)Show SMILES Nc1nc2n(CCN3CCN(CC3)c3cnccn3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12 Show InChI InChI=1S/C23H24ClN11O/c24-17-3-1-2-16(12-17)15-34-23(36)35-21(30-34)18-13-28-33(20(18)29-22(35)25)11-8-31-6-9-32(10-7-31)19-14-26-4-5-27-19/h1-5,12-14H,6-11,15H2,(H2,25,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340047
(5-amino-2-(3-chlorobenzyl)-7-(2-morpholinoethyl)-2...)Show SMILES Nc1nc2n(CCN3CCOCC3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12 Show InChI InChI=1S/C19H21ClN8O2/c20-14-3-1-2-13(10-14)12-27-19(29)28-17(24-27)15-11-22-26(16(15)23-18(28)21)5-4-25-6-8-30-9-7-25/h1-3,10-11H,4-9,12H2,(H2,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340035
(5-amino-2-(3-chlorobenzyl)-7-(2-(4-(2-fluoro-4-(2-...)Show SMILES COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3c4nn(Cc4cccc(Cl)c4)c3=O)CC2)c(F)c1 Show InChI InChI=1S/C28H31ClFN9O3/c1-41-13-14-42-21-5-6-24(23(30)16-21)36-10-7-35(8-11-36)9-12-37-25-22(17-32-37)26-34-38(28(40)39(26)27(31)33-25)18-19-3-2-4-20(29)15-19/h2-6,15-17H,7-14,18H2,1H3,(H2,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340037
(5-amino-2-(3-chlorobenzyl)-7-(2-(4-(2,4-difluoroph...)Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12 Show InChI InChI=1S/C25H24ClF2N9O/c26-17-3-1-2-16(12-17)15-36-25(38)37-23(32-36)19-14-30-35(22(19)31-24(37)29)11-8-33-6-9-34(10-7-33)21-5-4-18(27)13-20(21)28/h1-5,12-14H,6-11,15H2,(H2,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 23.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340032
(5-amino-2-(cyclopropylmethyl)-7-vinyl-2H-pyrazolo[...)Show InChI InChI=1S/C12H13N7O/c1-2-17-9-8(5-14-17)10-16-18(6-7-3-4-7)12(20)19(10)11(13)15-9/h2,5,7H,1,3-4,6H2,(H2,13,15) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 27.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340044
(5-amino-2-benzyl-7-(2-(4-morpholinopiperidin-1-yl)...)Show SMILES Nc1nc2n(CCN3CCC(CC3)N3CCOCC3)ncc2c2nn(Cc3ccccc3)c(=O)n12 Show InChI InChI=1S/C24H31N9O2/c25-23-27-21-20(22-28-32(24(34)33(22)23)17-18-4-2-1-3-5-18)16-26-31(21)11-10-29-8-6-19(7-9-29)30-12-14-35-15-13-30/h1-5,16,19H,6-15,17H2,(H2,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 28.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340030
(5-amino-2-(cyclopropylmethyl)-7-(2-morpholinoethyl...)Show SMILES Nc1nc2n(CCN3CCOCC3)ncc2c2nn(CC3CC3)c(=O)n12 Show InChI InChI=1S/C16H22N8O2/c17-15-19-13-12(9-18-22(13)4-3-21-5-7-26-8-6-21)14-20-23(10-11-1-2-11)16(25)24(14)15/h9,11H,1-8,10H2,(H2,17,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 381 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340039
(CHEMBL1762631 | tert-butyl 4-(2-(5-amino-2-(3-chlo...)Show SMILES CC(C)(C)OC(=O)N1CCN(CCn2ncc3c2nc(N)n2c3nn(Cc3cccc(Cl)c3)c2=O)CC1 Show InChI InChI=1S/C24H30ClN9O3/c1-24(2,3)37-23(36)31-10-7-30(8-11-31)9-12-32-19-18(14-27-32)20-29-33(22(35)34(20)21(26)28-19)15-16-5-4-6-17(25)13-16/h4-6,13-14H,7-12,15H2,1-3H3,(H2,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 556 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340055
(5-amino-2-benzyl-7-(4-methoxyphenyl)-[1,2,4]triazo...)Show SMILES COc1ccc(cc1)-c1cc2nn(Cc3ccccc3)c(=O)n2c(N)n1 Show InChI InChI=1S/C19H17N5O2/c1-26-15-9-7-14(8-10-15)16-11-17-22-23(12-13-5-3-2-4-6-13)19(25)24(17)18(20)21-16/h2-11H,12H2,1H3,(H2,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 636 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340054
(5-amino-2-benzyl-7-(pyridin-3-yl)-[1,2,4]triazolo[...)Show InChI InChI=1S/C17H14N6O/c18-16-20-14(13-7-4-8-19-10-13)9-15-21-22(17(24)23(15)16)11-12-5-2-1-3-6-12/h1-10H,11H2,(H2,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 791 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340038
(5-amino-2-benzyl-7-(2-(4-(2,4-difluorophenyl)piper...)Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)ncc2c2nn(Cc3ccccc3)c(=O)n12 Show InChI InChI=1S/C25H25F2N9O/c26-18-6-7-21(20(27)14-18)33-11-8-32(9-12-33)10-13-34-22-19(15-29-34)23-31-35(16-17-4-2-1-3-5-17)25(37)36(23)24(28)30-22/h1-7,14-15H,8-13,16H2,(H2,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340036
(5-amino-2-benzyl-7-(2-(4-(2-fluoro-4-(2-methoxyeth...)Show SMILES COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3c4nn(Cc4ccccc4)c3=O)CC2)c(F)c1 Show InChI InChI=1S/C28H32FN9O3/c1-40-15-16-41-21-7-8-24(23(29)17-21)35-12-9-34(10-13-35)11-14-36-25-22(18-31-36)26-33-37(19-20-5-3-2-4-6-20)28(39)38(26)27(30)32-25/h2-8,17-18H,9-16,19H2,1H3,(H2,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340040
(CHEMBL1762630 | tert-butyl 4-(2-(5-amino-2-benzyl-...)Show SMILES CC(C)(C)OC(=O)N1CCN(CCn2ncc3c2nc(N)n2c3nn(Cc3ccccc3)c2=O)CC1 Show InChI InChI=1S/C24H31N9O3/c1-24(2,3)36-23(35)30-12-9-29(10-13-30)11-14-31-19-18(15-26-31)20-28-32(16-17-7-5-4-6-8-17)22(34)33(20)21(25)27-19/h4-8,15H,9-14,16H2,1-3H3,(H2,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340050
(5-amino-2-benzyl-7-(2-(dimethylamino)ethyl)-2H-pyr...)Show InChI InChI=1S/C17H20N8O/c1-22(2)8-9-23-14-13(10-19-23)15-21-24(11-12-6-4-3-5-7-12)17(26)25(15)16(18)20-14/h3-7,10H,8-9,11H2,1-2H3,(H2,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340031
(5-amino-2-(cyclopropylmethyl)-7-(2-(dimethylamino)...)Show InChI InChI=1S/C14H20N8O/c1-19(2)5-6-20-11-10(7-16-20)12-18-21(8-9-3-4-9)14(23)22(12)13(15)17-11/h7,9H,3-6,8H2,1-2H3,(H2,15,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50340056
(5-amino-2-benzyl-7-(3-(hydroxymethyl)phenyl)-[1,2,...)Show SMILES Nc1nc(cc2nn(Cc3ccccc3)c(=O)n12)-c1cccc(CO)c1 Show InChI InChI=1S/C19H17N5O2/c20-18-21-16(15-8-4-7-14(9-15)12-25)10-17-22-23(19(26)24(17)18)11-13-5-2-1-3-6-13/h1-10,25H,11-12H2,(H2,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against human adenosine A2A receptor |
Bioorg Med Chem Lett 21: 2497-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5 |
More data for this
Ligand-Target Pair | |
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