Found 29 hits of Enzyme Inhibition Constant Data 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
(Rattus norvegicus (rat)) | BDBM110150
((E)-8-[3-(Trifluoromethyl)styryl]-1,3-diethyl-7- m...)Show SMILES CCn1c2nc(\C=C\c3cccc(c3)C(F)(F)F)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C19H19F3N4O2/c1-4-25-16-15(17(27)26(5-2)18(25)28)24(3)14(23-16)10-9-12-7-6-8-13(11-12)19(20,21)22/h6-11H,4-5H2,1-3H3/b10-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110148
((E)-8-(3-Bromostyryl)-1,3-diethyl-7-methylxanthine...)Show SMILES CCn1c2nc(\C=C\c3cccc(Br)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C18H19BrN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)10-9-12-7-6-8-13(19)11-12/h6-11H,4-5H2,1-3H3/b10-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110145
((E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthin...)Show SMILES CCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C18H19ClN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)10-9-12-7-6-8-13(19)11-12/h6-11H,4-5H2,1-3H3/b10-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110137
((E)-8-(3-Bromostyryl)-1,3,7-trimethylxanthine (4c))Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15BrN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110149
((E)-8-(4-Bromostyryl)-1,3-diethyl-7-methylxanthine...)Show SMILES CCn1c2nc(\C=C\c3ccc(Br)cc3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C18H19BrN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)11-8-12-6-9-13(19)10-7-12/h6-11H,4-5H2,1-3H3/b11-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110141
((E)-8-(3,4-Dichlorostyryl)-1,3-dimethyl-7-ethylxan...)Show SMILES CCn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H16Cl2N4O2/c1-4-23-13(8-6-10-5-7-11(18)12(19)9-10)20-15-14(23)16(24)22(3)17(25)21(15)2/h5-9H,4H2,1-3H3/b8-6+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110136
((E)-8-(3,4-Dichlorostyryl)caffeine (4b))Show SMILES Cn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H14Cl2N4O2/c1-20-12(7-5-9-4-6-10(17)11(18)8-9)19-14-13(20)15(23)22(3)16(24)21(14)2/h4-8H,1-3H3/b7-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 44.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110142
((E)-8-(3-Bromostyryl)-1,3-dimethyl-7-ethylxanthine...)Show SMILES CCn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H17BrN4O2/c1-4-22-13(9-8-11-6-5-7-12(18)10-11)19-15-14(22)16(23)21(3)17(24)20(15)2/h5-10H,4H2,1-3H3/b9-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 58.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110155
((E)-8-(4-Bromostyryl)-1,3,7-triethylxanthine (7e))Show SMILES CCn1c(\C=C\c2ccc(Br)cc2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C19H21BrN4O2/c1-4-22-15(12-9-13-7-10-14(20)11-8-13)21-17-16(22)18(25)24(6-3)19(26)23(17)5-2/h7-12H,4-6H2,1-3H3/b12-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110144
((E)-8-[3-(Trifluoromethyl)styryl]-1,3-dimethyl-7-e...)Show SMILES CCn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H17F3N4O2/c1-4-25-13(9-8-11-6-5-7-12(10-11)18(19,20)21)22-15-14(25)16(26)24(3)17(27)23(15)2/h5-10H,4H2,1-3H3/b9-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 93.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110140
((E)-8-(4-Chlorostyryl)-1,3-dimethyl-7-ethylxanthin...)Show SMILES CCn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H17ClN4O2/c1-4-22-13(10-7-11-5-8-12(18)9-6-11)19-15-14(22)16(23)21(3)17(24)20(15)2/h5-10H,4H2,1-3H3/b10-7+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 95.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50047157
((E)-8-[3-(Trifluoromethyl)styryl]-1,3,7-trimethylx...)Show SMILES Cn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H15F3N4O2/c1-22-12(8-7-10-5-4-6-11(9-10)17(18,19)20)21-14-13(22)15(25)24(3)16(26)23(14)2/h4-9H,1-3H3/b8-7+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110138
((E)-8-(4-Bromostyryl)-1,3,7-trimethylxanthine (4d))Show SMILES Cn1c(\C=C\c2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15BrN4O2/c1-19-12(9-6-10-4-7-11(17)8-5-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b9-6+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 127 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50420978
(8-Phenoxymethylcaffeine (8a) | CHEMBL2088299)Show InChI InChI=1S/C15H16N4O3/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110154
((E)-8-(3-Bromostyryl)-1,3,7-triethylxanthine (7d))Show SMILES CCn1c(\C=C\c2cccc(Br)c2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C19H21BrN4O2/c1-4-22-15(11-10-13-8-7-9-14(20)12-13)21-17-16(22)18(25)24(6-3)19(26)23(17)5-2/h7-12H,4-6H2,1-3H3/b11-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 161 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50425477
((E)-8-(4-Chlorostyryl)caffeine (4a) | CHEMBL231328...)Show SMILES Cn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(9-6-10-4-7-11(17)8-5-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b9-6+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 169 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110139
((E)-8-(3-Chlorostyryl)-1,3-dimethyl-7-ethylxanthin...)Show SMILES CCn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H17ClN4O2/c1-4-22-13(9-8-11-6-5-7-12(18)10-11)19-15-14(22)16(23)21(3)17(24)20(15)2/h5-10H,4H2,1-3H3/b9-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 421 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110153
((E)-8-(3,4-Dichlorostyryl)-1,3,7-triethylxanthine ...)Show SMILES CCn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C19H20Cl2N4O2/c1-4-23-15(10-8-12-7-9-13(20)14(21)11-12)22-17-16(23)18(26)25(6-3)19(27)24(17)5-2/h7-11H,4-6H2,1-3H3/b10-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 428 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110143
((E)-8-(4-Bromostyryl)-1,3-dimethyl-7-ethylxanthine...)Show SMILES CCn1c(\C=C\c2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H17BrN4O2/c1-4-22-13(10-7-11-5-8-12(18)9-6-11)19-15-14(22)16(23)21(3)17(24)20(15)2/h5-10H,4H2,1-3H3/b10-7+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 546 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110157
(8-Phenoxymethyl-1,3-dimethyl-7-ethylxantine (8b))Show InChI InChI=1S/C16H18N4O3/c1-4-20-12(10-23-11-8-6-5-7-9-11)17-14-13(20)15(21)19(3)16(22)18(14)2/h5-9H,4,10H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110152
((E)-8-(4-Chlorostyryl)-1,3,7-triethylxanthine (7b))Show SMILES CCn1c(\C=C\c2ccc(Cl)cc2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C19H21ClN4O2/c1-4-22-15(12-9-13-7-10-14(20)11-8-13)21-17-16(22)18(25)24(6-3)19(26)23(17)5-2/h7-12H,4-6H2,1-3H3/b12-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110156
((E)-8-[3-(Trifluoromethyl)styryl]-1,3,7-triethylxa...)Show SMILES CCn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C20H21F3N4O2/c1-4-25-15(11-10-13-8-7-9-14(12-13)20(21,22)23)24-17-16(25)18(28)27(6-3)19(29)26(17)5-2/h7-12H,4-6H2,1-3H3/b11-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110160
(8-(3-Phenylpropyl)-1,3,7-trimethylxanthine (9a))Show InChI InChI=1S/C17H20N4O2/c1-19-13(11-7-10-12-8-5-4-6-9-12)18-15-14(19)16(22)21(3)17(23)20(15)2/h4-6,8-9H,7,10-11H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110162
(8-(3-Phenylpropyl)-1,3-diethyl-7-methylxanthine (9...)Show InChI InChI=1S/C19H24N4O2/c1-4-22-17-16(18(24)23(5-2)19(22)25)21(3)15(20-17)13-9-12-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110163
(8-(3-Phenylpropyl)-1,3,7-triethylxanthine (9d))Show SMILES CCn1c(CCCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C20H26N4O2/c1-4-22-16(14-10-13-15-11-8-7-9-12-15)21-18-17(22)19(25)24(6-3)20(26)23(18)5-2/h7-9,11-12H,4-6,10,13-14H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110151
((E)-8-(3-Chlorostyryl)-1,3,7-triethylxanthine (7a))Show SMILES CCn1c(\C=C\c2cccc(Cl)c2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C19H21ClN4O2/c1-4-22-15(11-10-13-8-7-9-14(20)12-13)21-17-16(22)18(25)24(6-3)19(26)23(17)5-2/h7-12H,4-6H2,1-3H3/b11-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110161
(8-(3-Phenylpropyl)-1,3-dimethyl-7-ethylxanthine (9...)Show InChI InChI=1S/C18H22N4O2/c1-4-22-14(12-8-11-13-9-6-5-7-10-13)19-16-15(22)17(23)21(3)18(24)20(16)2/h5-7,9-10H,4,8,11-12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110158
(8-Phenoxymethyl-1,3-diethyl-7-methylxanthine (8c))Show InChI InChI=1S/C17H20N4O3/c1-4-20-15-14(16(22)21(5-2)17(20)23)19(3)13(18-15)11-24-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM110159
(8-Phenoxymethyl-1,3,7-triethylxanthine (8d))Show SMILES CCn1c(COc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C18H22N4O3/c1-4-20-14(12-25-13-10-8-7-9-11-13)19-16-15(20)17(23)22(6-3)18(24)21(16)5-2/h7-11H,4-6,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
| |
Bioorg Chem 49: 49-58 (2013)
Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2 |
More data for this
Ligand-Target Pair | |
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