Found 18 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 A1
(Homo sapiens (Human)) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM86759
(2,4-dimethyl-4,9-dihydro-2,4,7,9-tetraaza-fluorene...)Show InChI InChI=1S/C11H12N4O2/c1-14-9-7-6(4-3-5-12-7)13-8(9)10(16)15(2)11(14)17/h3-5,8-9,13H,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 13.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM86761
(CAS_35920-39-9 | NECA | NSC_448222)Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM86760
(CAS_104924 | CGS 21680 | NSC_104924 | US11440916, ...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 46.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM86762
(2,5,9-trimethyl-4,9-dihydro-2,4,5,9-tetraaza-fluor...)Show InChI InChI=1S/C12H14N4O2/c1-14-7-5-4-6-13-8(7)9-10(14)11(17)16(3)12(18)15(9)2/h4-6,9-10H,1-3H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 332 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM86759
(2,4-dimethyl-4,9-dihydro-2,4,7,9-tetraaza-fluorene...)Show InChI InChI=1S/C11H12N4O2/c1-14-9-7-6(4-3-5-12-7)13-8(9)10(16)15(2)11(14)17/h3-5,8-9,13H,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 379 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM86758
(2,4-dimethyl-4,9-dihydro-2,4,5,9-tetraaza-fluorene...)Show InChI InChI=1S/C11H12N4O2/c1-14-9-6-3-4-12-5-7(6)13-8(9)10(16)15(2)11(14)17/h3-5,8-9,13H,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 526 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM86759
(2,4-dimethyl-4,9-dihydro-2,4,7,9-tetraaza-fluorene...)Show InChI InChI=1S/C11H12N4O2/c1-14-9-7-6(4-3-5-12-7)13-8(9)10(16)15(2)11(14)17/h3-5,8-9,13H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 893 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50207817
(5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol | 7-bromo-e...)Show InChI InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM86763
(2,4,9-trimethyl-4,9-dihydro-2,4,7,9-tetraaza-fluor...)Show InChI InChI=1S/C12H14N4O2/c1-14-8-6-13-5-4-7(8)9-10(14)11(17)16(3)12(18)15(9)2/h4-6,9-10H,1-3H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM86763
(2,4,9-trimethyl-4,9-dihydro-2,4,7,9-tetraaza-fluor...)Show InChI InChI=1S/C12H14N4O2/c1-14-8-6-13-5-4-7(8)9-10(14)11(17)16(3)12(18)15(9)2/h4-6,9-10H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 4.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50207817
(5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol | 7-bromo-e...)Show InChI InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H | 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
| 4.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM86762
(2,5,9-trimethyl-4,9-dihydro-2,4,5,9-tetraaza-fluor...)Show InChI InChI=1S/C12H14N4O2/c1-14-7-5-4-6-13-8(7)9-10(14)11(17)16(3)12(18)15(9)2/h4-6,9-10H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 6.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50207817
(5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol | 7-bromo-e...)Show InChI InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM86762
(2,5,9-trimethyl-4,9-dihydro-2,4,5,9-tetraaza-fluor...)Show InChI InChI=1S/C12H14N4O2/c1-14-7-5-4-6-13-8(7)9-10(14)11(17)16(3)12(18)15(9)2/h4-6,9-10H,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM86758
(2,4-dimethyl-4,9-dihydro-2,4,5,9-tetraaza-fluorene...)Show InChI InChI=1S/C11H12N4O2/c1-14-9-6-3-4-12-5-7(6)13-8(9)10(16)15(2)11(14)17/h3-5,8-9,13H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 15: 3235-40 (2007)
Article DOI: 10.1016/j.bmc.2007.02.043 BindingDB Entry DOI: 10.7270/Q28G8J9M |
More data for this Ligand-Target Pair | |