Found 19 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 A3
(Homo sapiens (Human)) | BDBM50117223
(5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)Show InChI InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50117223
(5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)Show InChI InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50117232
(5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50117215
(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50145230
(5-Butyl-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo...)Show InChI InChI=1S/C16H16N6/c1-2-3-9-13-18-15-12(10-17-20-15)16-19-14(21-22(13)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,20) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50145227
(5-Butyl-2-(4-methoxy-phenyl)-7H-pyrazolo[4,3-e][1,...)Show InChI InChI=1S/C17H18N6O/c1-3-4-5-14-19-16-13(10-18-21-16)17-20-15(22-23(14)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,21) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50117232
(5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A2A receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50145228
(5-Butyl-2-(4-trifluoromethyl-phenyl)-7H-pyrazolo[4...)Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-13-22-15-12(9-21-24-15)16-23-14(25-26(13)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50145231
(5-Butyl-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c...)Show InChI InChI=1S/C20H20N4O/c1-3-4-9-18-21-17-8-6-5-7-16(17)20-22-19(23-24(18)20)14-10-12-15(25-2)13-11-14/h5-8,10-13H,3-4,9H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50145230
(5-Butyl-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo...)Show InChI InChI=1S/C16H16N6/c1-2-3-9-13-18-15-12(10-17-20-15)16-19-14(21-22(13)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A2A receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50145226
(5-Butyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline...)Show InChI InChI=1S/C19H18N4/c1-2-3-13-17-20-16-12-8-7-11-15(16)19-21-18(22-23(17)19)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50145229
(5-Butyl-2-(4-trifluoromethyl-phenyl)-[1,2,4]triazo...)Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H17F3N4/c1-2-3-8-17-24-16-7-5-4-6-15(16)19-25-18(26-27(17)19)13-9-11-14(12-10-13)20(21,22)23/h4-7,9-12H,2-3,8H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50117223
(5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)Show InChI InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A2A receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50145227
(5-Butyl-2-(4-methoxy-phenyl)-7H-pyrazolo[4,3-e][1,...)Show InChI InChI=1S/C17H18N6O/c1-3-4-5-14-19-16-13(10-18-21-16)17-20-15(22-23(14)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A2A receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50117215
(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A2A receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50145226
(5-Butyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline...)Show InChI InChI=1S/C19H18N4/c1-2-3-13-17-20-16-12-8-7-11-15(16)19-21-18(22-23(17)19)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A2A receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50145229
(5-Butyl-2-(4-trifluoromethyl-phenyl)-[1,2,4]triazo...)Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H17F3N4/c1-2-3-8-17-24-16-7-5-4-6-15(16)19-25-18(26-27(17)19)13-9-11-14(12-10-13)20(21,22)23/h4-7,9-12H,2-3,8H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A2A receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50145228
(5-Butyl-2-(4-trifluoromethyl-phenyl)-7H-pyrazolo[4...)Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-13-22-15-12(9-21-24-15)16-23-14(25-26(13)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A2A receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50145231
(5-Butyl-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c...)Show InChI InChI=1S/C20H20N4O/c1-3-4-9-18-21-17-8-6-5-7-16(17)20-22-19(23-24(18)20)14-10-12-15(25-2)13-11-14/h5-8,10-13H,3-4,9H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A2A receptor expressed in HEK-293 cells |
Bioorg Med Chem Lett 14: 2443-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W |
More data for this
Ligand-Target Pair | |
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