null
SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
InChI Key: InChIKey=AJBBEYXFRYFVNM-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Binding affinity to human adenosine A3 receptor | J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Binding affinity to human adenosine A3 receptor | J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL | Assay Description Displacement of [125I]IABA from recombinant human A3 adenosine receptor expressed in HEK293 cell membranes measured after 3 hrs | J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 575 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Bari Curated by ChEMBL | Assay Description Binding affinity to recombinant human adenosine A3 receptor | J Med Chem 49: 282-99 (2006) Article DOI: 10.1021/jm0506221 BindingDB Entry DOI: 10.7270/Q29K4CF5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Rattus norvegicus (rat)) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 612 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from A2A adenosine receptor in rat striatal membranes measured after 3 hrs in presence of adenosine deaminase | J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Rattus norvegicus (rat)) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 612 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Binding affinity to rat adenosine A2A receptor | J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Rattus norvegicus (rat)) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | 612 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Binding affinity towards rat Adenosine A2A receptor | J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Rattus norvegicus (rat)) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | 612 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Antagonist activity against adenosine A2A receptor in rat striatal membrane in presence of [3H]-CGS-21,680 radioligand. | J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Rattus norvegicus (rat)) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | 612 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement. | J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Mus musculus) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL | Assay Description Displacement of [3H]NECA from recombinant mouse A3 adenosine receptor expressed in CHO cell membranes measured after 180 mins by liquid scintillation... | J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Mus musculus) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL | Assay Description Displacement of [3H]MSX-2 from recombinant mouse A2A adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillatio... | J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Rattus norvegicus) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL | Assay Description Binding affinity to rat A3 adenosine receptor | J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1/A2a/A2b/A3 (Homo sapiens (Human)) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 6.76E+4 | n/a | n/a | n/a | n/a |
Universidade Estadual de Feira de Santana Curated by ChEMBL | Assay Description Antagonist activity at Adenosine receptor in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional gentle stirri... | Eur J Med Chem 136: 487-496 (2017) Article DOI: 10.1016/j.ejmech.2017.05.035 BindingDB Entry DOI: 10.7270/Q2RJ4N1S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.13 | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Binding affinity to human adenosine A2B receptor | J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a |
Universidade Estadual de Feira de Santana Curated by ChEMBL | Assay Description Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional ge... | Eur J Med Chem 136: 487-496 (2017) Article DOI: 10.1016/j.ejmech.2017.05.035 BindingDB Entry DOI: 10.7270/Q2RJ4N1S | |||||||||||
More data for this Ligand-Target Pair |
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