BDBM50453224 2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (16c)::CHEMBL410873
SMILES: CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
InChI Key: InChIKey=FDEACFAXFCKCHZ-MOROJQBDSA-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 Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.20 | 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 Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand | J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. | J Med Chem 39: 4211-7 (1996) Article DOI: 10.1021/jm960376g BindingDB Entry DOI: 10.7270/Q2542P7Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand. | J Med Chem 38: 1462-72 (1995) BindingDB Entry DOI: 10.7270/Q2R78FWX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes with 50 nM CPA using [3H]-NECA | J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2 receptor (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University Curated by ChEMBL | Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by... | J Med Chem 35: 2881-90 (1992) BindingDB Entry DOI: 10.7270/Q22B8ZMC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University Curated by ChEMBL | Assay Description Binding affinity against adenosine A2 receptor from rat striatum using [3H]NECA as radioligand. | J Med Chem 35: 2881-90 (1992) BindingDB Entry DOI: 10.7270/Q22B8ZMC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2 receptor (Homo sapiens (Human)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Binding affinity against adenosine A2 receptor from human platelet membranes using [3H]NECA | J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 26 | 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 Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably trans... | J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Binding affinity against low affinity component of adenosine A1 receptors from rat brain membranes using [3H]-DPCPX | J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain | J Med Chem 39: 4211-7 (1996) Article DOI: 10.1021/jm960376g BindingDB Entry DOI: 10.7270/Q2542P7Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 130 | 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 Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand. | J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand | J Med Chem 37: 1720-6 (1994) BindingDB Entry DOI: 10.7270/Q2RX9CQ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Binding affinity against adenosine A1 receptor from rat brain using [3H]CHA as a radioligand. | J Med Chem 38: 1462-72 (1995) BindingDB Entry DOI: 10.7270/Q2R78FWX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Binding affinity against low affinity component of adenosine A1 receptors from rat brain membranes using [3H]-DPCPX | J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 276 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University Curated by ChEMBL | Assay Description Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand. | J Med Chem 35: 2881-90 (1992) BindingDB Entry DOI: 10.7270/Q22B8ZMC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Binding affinity against low affinity component of adenosine A1 receptors from rat brain membranes using [3H]-DPCPX | J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 596 | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Vasorelaxation as Adenosine A2A receptor activity in rat aorta | J Med Chem 39: 4211-7 (1996) Article DOI: 10.1021/jm960376g BindingDB Entry DOI: 10.7270/Q2542P7Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2 receptor (Homo sapiens (Human)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 105 | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Inhibition of adenylate cyclase via Adenosine A1 receptor in rat fat cell membranes | J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1 | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria | J Med Chem 39: 4211-7 (1996) Article DOI: 10.1021/jm960376g BindingDB Entry DOI: 10.7270/Q2542P7Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Inhibition of adenylate cyclase via adenosine A1 receptors in rat fat cell membranes | J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Functional activity against adenosine A1 receptor from rat atria. | J Med Chem 38: 1462-72 (1995) BindingDB Entry DOI: 10.7270/Q2R78FWX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 596 | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Functional activity against adenosine A2a receptor from rat aorta. | J Med Chem 38: 1462-72 (1995) BindingDB Entry DOI: 10.7270/Q2R78FWX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50453224 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Negative chronotropic activity via A1 Adenosine receptor was tested in spontaneously beating rat atria | J Med Chem 37: 1720-6 (1994) BindingDB Entry DOI: 10.7270/Q2RX9CQ4 | |||||||||||
More data for this Ligand-Target Pair |