BDBM50159492 CHEMBL3786336
SMILES: CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccoc1
InChI Key: InChIKey=CVPPUYGSPNIDQH-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 |
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Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50159492 (CHEMBL3786336) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells after 30 mins | J Med Chem 59: 1967-83 (2016) BindingDB Entry DOI: 10.7270/Q2QF8VS9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptors; A2a & A2b (Homo sapiens (Human)) | BDBM50159492 (CHEMBL3786336) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... | J Med Chem 62: 9315-9330 (2019) Article DOI: 10.1021/acs.jmedchem.9b01340 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptors; A2a & A2b (Homo sapiens (Human)) | BDBM50159492 (CHEMBL3786336) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... | J Med Chem 62: 9315-9330 (2019) Article DOI: 10.1021/acs.jmedchem.9b01340 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptors; A2a & A2b (Homo sapiens (Human)) | BDBM50159492 (CHEMBL3786336) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Displacement [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method | J Med Chem 63: 7721-7739 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50159492 (CHEMBL3786336) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) expressed in insect cell microsomes using dibenzylfluorescein substrate by fluorescence based assay | J Med Chem 63: 7721-7739 (2020) | |||||||||||
More data for this Ligand-Target Pair |