Found 266 hits with Last Name = 'hetu' and Initial = 'g' 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 |
|---|
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255960
(4-(6-methylpyridin-2-yl)-5-(quinoxalin-6-yl)thiazo...)Show InChI InChI=1S/C17H13N5S/c1-10-3-2-4-13(21-10)15-16(23-17(18)22-15)11-5-6-12-14(9-11)20-8-7-19-12/h2-9H,1H3,(H2,18,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255959
(4-(5-fluoro-6-methylpyridin-2-yl)-5-(quinoxalin-6-...)Show InChI InChI=1S/C17H13FN6/c1-9-11(18)3-5-13(22-9)16-15(23-17(19)24-16)10-2-4-12-14(8-10)21-7-6-20-12/h2-8H,1H3,(H3,19,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM21190
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM21190
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor |
J Med Chem 47: 4291-9 (2004)
Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163407
(2-Furan-2-yl-N*5*-[(R)-1-(2,4,6-trifluoro-benzyl)-...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)cc(F)cc2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H19F3N8O/c21-11-7-14(22)13(15(23)8-11)10-30-5-1-3-12(30)9-25-19-27-18(24)31-20(28-19)26-17(29-31)16-4-2-6-32-16/h2,4,6-8,12H,1,3,5,9-10H2,(H3,24,25,26,27,28,29)/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50151189
(5-[4-(3,5-Dichloro-pyridin-4-ylmethyl)-piperazin-1...)Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)cncc2Cl)CC1 Show InChI InChI=1S/C18H17Cl2N9O/c19-12-8-22-9-13(20)11(12)10-27-3-5-28(6-4-27)17-24-16(21)29-18(25-17)23-15(26-29)14-2-1-7-30-14/h1-2,7-9H,3-6,10H2,(H2,21,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor |
J Med Chem 47: 4291-9 (2004)
Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255228
(CHEMBL517068 | N-(5-([1,2,4]triazolo[1,5-a]pyridin...)Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1 Show InChI InChI=1S/C17H14FN7O/c1-9-12(18)4-5-13(21-9)16-15(23-17(24-16)22-10(2)26)11-3-6-14-19-8-20-25(14)7-11/h3-8H,1-2H3,(H2,22,23,24,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255227
(CHEMBL450161 | N-(5-([1,2,4]triazolo[1,5-a]pyridin...)Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1cccc(C)n1 Show InChI InChI=1S/C17H15N7O/c1-10-4-3-5-13(20-10)16-15(22-17(23-16)21-11(2)25)12-6-7-14-18-9-19-24(14)8-12/h3-9H,1-2H3,(H2,21,22,23,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50151182
(2-Furan-2-yl-5-[4-(2,4,6-trifluoro-benzyl)-piperaz...)Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cc(F)cc2F)CC1 Show InChI InChI=1S/C19H17F3N8O/c20-11-8-13(21)12(14(22)9-11)10-28-3-5-29(6-4-28)18-25-17(23)30-19(26-18)24-16(27-30)15-2-1-7-31-15/h1-2,7-9H,3-6,10H2,(H2,23,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50151182
(2-Furan-2-yl-5-[4-(2,4,6-trifluoro-benzyl)-piperaz...)Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cc(F)cc2F)CC1 Show InChI InChI=1S/C19H17F3N8O/c20-11-8-13(21)12(14(22)9-11)10-28-3-5-29(6-4-28)18-25-17(23)30-19(26-18)24-16(27-30)15-2-1-7-31-15/h1-2,7-9H,3-6,10H2,(H2,23,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor |
J Med Chem 47: 4291-9 (2004)
Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255958
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(4-(methyls...)Show SMILES Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C20H21FN8O2S/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)27-7-9-28(10-8-27)32(2,30)31/h3-6,11-12H,7-10H2,1-2H3,(H,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163432
(CHEMBL179478 | N*5*-[(R)-1-(5-Chloro-furan-2-ylmet...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)o2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H19ClN8O2/c19-14-6-5-12(29-14)10-26-7-1-3-11(26)9-21-17-23-16(20)27-18(24-17)22-15(25-27)13-4-2-8-28-13/h2,4-6,8,11H,1,3,7,9-10H2,(H3,20,21,22,23,24,25)/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50152215
(7N-[1-(2-chloro-4-pyridylmethyl)-(2R)-tetrahydro-1...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H20ClN9O/c20-15-9-12(5-6-22-15)11-28-7-1-3-13(28)10-23-18-25-17(21)29-19(26-18)24-16(27-29)14-4-2-8-30-14/h2,4-6,8-9,13H,1,3,7,10-11H2,(H3,21,23,24,25,26,27)/t13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163423
(2-Furan-2-yl-N*5*-[(R)-1-(2,3,6-trifluoro-benzyl)-...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H19F3N8O/c21-13-5-6-14(22)16(23)12(13)10-30-7-1-3-11(30)9-25-19-27-18(24)31-20(28-19)26-17(29-31)15-4-2-8-32-15/h2,4-6,8,11H,1,3,7,9-10H2,(H3,24,25,26,27,28,29)/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163404
(CHEMBL177615 | N*5*-[(R)-1-(2-Chloro-3,6-difluoro-...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2Cl)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H19ClF2N8O/c21-16-12(13(22)5-6-14(16)23)10-30-7-1-3-11(30)9-25-19-27-18(24)31-20(28-19)26-17(29-31)15-4-2-8-32-15/h2,4-6,8,11H,1,3,7,9-10H2,(H3,24,25,26,27,28,29)/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163402
(CHEMBL176071 | N*5*-[(R)-1-(2-Fluoro-5-trifluorome...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cc(ccc2F)C(F)(F)F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H20F4N8O/c22-15-6-5-13(21(23,24)25)9-12(15)11-32-7-1-3-14(32)10-27-19-29-18(26)33-20(30-19)28-17(31-33)16-4-2-8-34-16/h2,4-6,8-9,14H,1,3,7,10-11H2,(H3,26,27,28,29,30,31)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50156604
(CHEMBL173672 | N*5*-[(R)-1-(2,6-Difluoro-benzyl)-p...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)cccc2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H20F2N8O/c21-14-5-1-6-15(22)13(14)11-29-8-2-4-12(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)16-7-3-9-31-16/h1,3,5-7,9,12H,2,4,8,10-11H2,(H3,23,24,25,26,27,28)/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163420
(CHEMBL177532 | N*5*-[(R)-1-(2,3-Difluoro-benzyl)-p...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cccc(F)c2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H20F2N8O/c21-14-6-1-4-12(16(14)22)11-29-8-2-5-13(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)15-7-3-9-31-15/h1,3-4,6-7,9,13H,2,5,8,10-11H2,(H3,23,24,25,26,27,28)/t13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50151186
(5-[4-(6-Chloro-2,3-difluoro-benzyl)-piperazin-1-yl...)Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)ccc(F)c2F)CC1 Show InChI InChI=1S/C19H17ClF2N8O/c20-12-3-4-13(21)15(22)11(12)10-28-5-7-29(8-6-28)18-25-17(23)30-19(26-18)24-16(27-30)14-2-1-9-31-14/h1-4,9H,5-8,10H2,(H2,23,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
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PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor |
J Med Chem 47: 4291-9 (2004)
Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163422
(CHEMBL368201 | N*5*-[(R)-1-(2-Fluoro-4-trifluorome...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc(cc2F)C(F)(F)F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H20F4N8O/c22-15-9-13(21(23,24)25)6-5-12(15)11-32-7-1-3-14(32)10-27-19-29-18(26)33-20(30-19)28-17(31-33)16-4-2-8-34-16/h2,4-6,8-9,14H,1,3,7,10-11H2,(H3,26,27,28,29,30,31)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50151171
(5-[4-(2-Chloro-quinolin-3-ylmethyl)-piperazin-1-yl...)Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cc3ccccc3nc2Cl)CC1 Show InChI InChI=1S/C22H20ClN9O/c23-18-15(12-14-4-1-2-5-16(14)25-18)13-30-7-9-31(10-8-30)21-27-20(24)32-22(28-21)26-19(29-32)17-6-3-11-33-17/h1-6,11-12H,7-10,13H2,(H2,24,26,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor |
J Med Chem 47: 4291-9 (2004)
Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163425
(2-Furan-2-yl-N*5*-((R)-1-pyridin-3-ylmethyl-pyrrol...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cccnc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H21N9O/c20-17-24-18(25-19-23-16(26-28(17)19)15-6-3-9-29-15)22-11-14-5-2-8-27(14)12-13-4-1-7-21-10-13/h1,3-4,6-7,9-10,14H,2,5,8,11-12H2,(H3,20,22,23,24,25,26)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163410
(CHEMBL173993 | N*5*-[(R)-1-(3-Chloro-2-fluoro-benz...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H20ClFN8O/c21-14-6-1-4-12(16(14)22)11-29-8-2-5-13(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)15-7-3-9-31-15/h1,3-4,6-7,9,13H,2,5,8,10-11H2,(H3,23,24,25,26,27,28)/t13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163401
(CHEMBL369373 | N*5*-[(R)-1-(3-Chloro-1-methyl-1H-p...)Show SMILES Cn1cc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)c(Cl)n1 Show InChI InChI=1S/C18H21ClN10O/c1-27-9-11(14(19)25-27)10-28-6-2-4-12(28)8-21-17-23-16(20)29-18(24-17)22-15(26-29)13-5-3-7-30-13/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H3,20,21,22,23,24,26)/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255179
(CHEMBL519939 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1 Show InChI InChI=1S/C19H15FN6O/c1-10-13(20)4-6-15(23-10)18-17(25-19(26-18)24-11(2)27)12-3-5-14-16(9-12)22-8-7-21-14/h3-9H,1-2H3,(H2,24,25,26,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255231
(CHEMBL479262 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)Show SMILES COCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1 Show InChI InChI=1S/C20H17FN6O2/c1-11-13(21)4-6-15(24-11)19-18(26-20(27-19)25-17(28)10-29-2)12-3-5-14-16(9-12)23-8-7-22-14/h3-9H,10H2,1-2H3,(H2,25,26,27,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163412
(2-Furan-2-yl-N*5*-[(R)-1-(2,4,5-trifluoro-benzyl)-...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cc(F)c(F)cc2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H19F3N8O/c21-13-8-15(23)14(22)7-11(13)10-30-5-1-3-12(30)9-25-19-27-18(24)31-20(28-19)26-17(29-31)16-4-2-6-32-16/h2,4,6-8,12H,1,3,5,9-10H2,(H3,24,25,26,27,28,29)/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163396
(CHEMBL367593 | N*5*-[(R)-1-(3-Chloro-2-fluoro-6-tr...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)c(Cl)ccc2C(F)(F)F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H19ClF4N8O/c22-14-6-5-13(21(24,25)26)12(16(14)23)10-33-7-1-3-11(33)9-28-19-30-18(27)34-20(31-19)29-17(32-34)15-4-2-8-35-15/h2,4-6,8,11H,1,3,7,9-10H2,(H3,27,28,29,30,31,32)/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255230
(CHEMBL521441 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)Show SMILES CCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1 Show InChI InChI=1S/C20H17FN6O/c1-3-17(28)25-20-26-18(12-4-6-14-16(10-12)23-9-8-22-14)19(27-20)15-7-5-13(21)11(2)24-15/h4-10H,3H2,1-2H3,(H2,25,26,27,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50151181
(2-Furan-2-yl-5-[4-(2,3,6-trifluoro-benzyl)-piperaz...)Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)ccc(F)c2F)CC1 Show InChI InChI=1S/C19H17F3N8O/c20-12-3-4-13(21)15(22)11(12)10-28-5-7-29(8-6-28)18-25-17(23)30-19(26-18)24-16(27-30)14-2-1-9-31-14/h1-4,9H,5-8,10H2,(H2,23,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor |
J Med Chem 47: 4291-9 (2004)
Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163403
(CHEMBL368070 | N*5*-[(R)-1-(2,4-Dichloro-benzyl)-p...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)cc2Cl)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H20Cl2N8O/c21-13-6-5-12(15(22)9-13)11-29-7-1-3-14(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)16-4-2-8-31-16/h2,4-6,8-9,14H,1,3,7,10-11H2,(H3,23,24,25,26,27,28)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163426
(CHEMBL177539 | N*5*-((R)-1-Benzofuran-2-ylmethyl-p...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cc3ccccc3o2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22N8O2/c23-20-26-21(27-22-25-19(28-30(20)22)18-8-4-10-31-18)24-12-15-6-3-9-29(15)13-16-11-14-5-1-2-7-17(14)32-16/h1-2,4-5,7-8,10-11,15H,3,6,9,12-13H2,(H3,23,24,25,26,27,28)/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50151205
(5-[4-(2-Chloro-6-methyl-quinolin-3-ylmethyl)-piper...)Show SMILES Cc1ccc2nc(Cl)c(CN3CCN(CC3)c3nc(N)n4nc(nc4n3)-c3ccco3)cc2c1 Show InChI InChI=1S/C23H22ClN9O/c1-14-4-5-17-15(11-14)12-16(19(24)26-17)13-31-6-8-32(9-7-31)22-28-21(25)33-23(29-22)27-20(30-33)18-3-2-10-34-18/h2-5,10-12H,6-9,13H2,1H3,(H2,25,27,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor |
J Med Chem 47: 4291-9 (2004)
Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50152213
(2-Furan-2-yl-N*5*-methyl-N*5*-[(R)-1-(5-methyl-iso...)Show SMILES CN(C[C@H]1CCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C19H23N9O2/c1-12-9-13(25-30-12)10-27-7-3-5-14(27)11-26(2)18-22-17(20)28-19(23-18)21-16(24-28)15-6-4-8-29-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H2,20,21,22,23,24)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163415
(2-Furan-2-yl-N*5*-methyl-N*5*-[(R)-1-(5-methyl-iso...)Show SMILES CN(C[C@H]1CCCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C20H25N9O2/c1-13-10-14(26-31-13)11-28-8-4-3-6-15(28)12-27(2)19-23-18(21)29-20(24-19)22-17(25-29)16-7-5-9-30-16/h5,7,9-10,15H,3-4,6,8,11-12H2,1-2H3,(H2,21,22,23,24,25)/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163398
(CHEMBL175645 | N*5*-[(R)-1-(3-Chloro-benzyl)-pyrro...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H21ClN8O/c21-14-5-1-4-13(10-14)12-28-8-2-6-15(28)11-23-19-25-18(22)29-20(26-19)24-17(27-29)16-7-3-9-30-16/h1,3-5,7,9-10,15H,2,6,8,11-12H2,(H3,22,23,24,25,26,27)/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163399
(CHEMBL177943 | N*5*-[(R)-1-(2,4-Difluoro-benzyl)-p...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc(F)cc2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H20F2N8O/c21-13-6-5-12(15(22)9-13)11-29-7-1-3-14(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)16-4-2-8-31-16/h2,4-6,8-9,14H,1,3,7,10-11H2,(H3,23,24,25,26,27,28)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50151188
(5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...)Show SMILES Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F Show InChI InChI=1S/C18H18ClF3N10O/c1-29-13(19)10(12(27-29)18(20,21)22)9-30-4-6-31(7-5-30)16-25-15(23)32-17(26-16)24-14(28-32)11-3-2-8-33-11/h2-3,8H,4-7,9H2,1H3,(H2,23,24,25,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor |
J Med Chem 47: 4291-9 (2004)
Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255908
(4-(5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(5-flu...)Show SMILES Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCOCC1 Show InChI InChI=1S/C19H18FN7O/c1-12-14(20)3-4-15(23-12)18-17(13-2-5-16-21-11-22-27(16)10-13)24-19(25-18)26-6-8-28-9-7-26/h2-5,10-11H,6-9H2,1H3,(H,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163416
(2-Furan-2-yl-N*5*-((R)-1-pyridin-2-ylmethyl-pyrrol...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccccn2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H21N9O/c20-17-24-18(25-19-23-16(26-28(17)19)15-7-4-10-29-15)22-11-14-6-3-9-27(14)12-13-5-1-2-8-21-13/h1-2,4-5,7-8,10,14H,3,6,9,11-12H2,(H3,20,22,23,24,25,26)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255957
(1-(4-(5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(5-...)Show SMILES CC(=O)N1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1 Show InChI InChI=1S/C21H21FN8O/c1-13-16(22)4-5-17(25-13)20-19(15-3-6-18-23-12-24-30(18)11-15)26-21(27-20)29-9-7-28(8-10-29)14(2)31/h3-6,11-12H,7-10H2,1-2H3,(H,26,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50151198
(5-[4-(2,6-Difluoro-benzyl)-piperazin-1-yl]-2-furan...)Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cccc2F)CC1 Show InChI InChI=1S/C19H18F2N8O/c20-13-3-1-4-14(21)12(13)11-27-6-8-28(9-7-27)18-24-17(22)29-19(25-18)23-16(26-29)15-5-2-10-30-15/h1-5,10H,6-9,11H2,(H2,22,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor |
J Med Chem 47: 4291-9 (2004)
Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255909
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(4-methylpi...)Show SMILES CN1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1 Show InChI InChI=1S/C20H21FN8/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)28-9-7-27(2)8-10-28/h3-6,11-12H,7-10H2,1-2H3,(H,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163406
(2-Furan-2-yl-N*5*-((R)-1-quinolin-2-ylmethyl-pyrro...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc3ccccc3n2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C23H23N9O/c24-21-28-22(29-23-27-20(30-32(21)23)19-8-4-12-33-19)25-13-17-6-3-11-31(17)14-16-10-9-15-5-1-2-7-18(15)26-16/h1-2,4-5,7-10,12,17H,3,6,11,13-14H2,(H3,24,25,27,28,29,30)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50151195
(5-[4-(3,5-Dimethyl-isoxazol-4-ylmethyl)-piperazin-...)Show SMILES Cc1noc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C18H21N9O2/c1-11-13(12(2)29-24-11)10-25-5-7-26(8-6-25)17-21-16(19)27-18(22-17)20-15(23-27)14-4-3-9-28-14/h3-4,9H,5-8,10H2,1-2H3,(H2,19,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor |
J Med Chem 47: 4291-9 (2004)
Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50151208
(2-Furan-2-yl-5-[4-(2,3,6-trichloro-benzyl)-piperaz...)Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)ccc(Cl)c2Cl)CC1 Show InChI InChI=1S/C19H17Cl3N8O/c20-12-3-4-13(21)15(22)11(12)10-28-5-7-29(8-6-28)18-25-17(23)30-19(26-18)24-16(27-30)14-2-1-9-31-14/h1-4,9H,5-8,10H2,(H2,23,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor |
J Med Chem 47: 4291-9 (2004)
Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50151195
(5-[4-(3,5-Dimethyl-isoxazol-4-ylmethyl)-piperazin-...)Show SMILES Cc1noc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C18H21N9O2/c1-11-13(12(2)29-24-11)10-25-5-7-26(8-6-25)17-21-16(19)27-18(22-17)20-15(23-27)14-4-3-9-28-14/h3-4,9H,5-8,10H2,1-2H3,(H2,19,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163417
(2-Furan-2-yl-N*5*-((R)-1-furan-2-ylmethyl-pyrrolid...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccco2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H20N8O2/c19-16-22-17(23-18-21-15(24-26(16)18)14-6-3-9-28-14)20-10-12-4-1-7-25(12)11-13-5-2-8-27-13/h2-3,5-6,8-9,12H,1,4,7,10-11H2,(H3,19,20,21,22,23,24)/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50255906
(CHEMBL480731 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)Show SMILES COCCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1 Show InChI InChI=1S/C21H19FN6O2/c1-12-14(22)4-6-16(25-12)20-19(27-21(28-20)26-18(29)7-10-30-2)13-3-5-15-17(11-13)24-9-8-23-15/h3-6,8-9,11H,7,10H2,1-2H3,(H2,26,27,28,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbot Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human TGFBR1 |
Bioorg Med Chem Lett 19: 912-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50152218
(CHEMBL177386 | N*5*-[(R)-1-(3,5-Dichloro-pyridin-4...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H19Cl2N9O/c20-13-8-23-9-14(21)12(13)10-29-5-1-3-11(29)7-24-18-26-17(22)30-19(27-18)25-16(28-30)15-4-2-6-31-15/h2,4,6,8-9,11H,1,3,5,7,10H2,(H3,22,24,25,26,27,28)/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
J Med Chem 48: 2009-18 (2005)
Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB |
More data for this
Ligand-Target Pair | |
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