BDBM50327339 2-(1-(2-ethylphenyl)-3-methyl-4-(quinoxalin-6-yl)-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid::CHEMBL1258621
SMILES: CCc1ccccc1-n1nc(C)c(c1Nc1ccc(OC)cc1C(O)=O)-c1ccc2nccnc2c1
InChI Key: InChIKey=GFRCQSXPYRBHLF-UHFFFAOYSA-N
Data: 3 IC50
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 A1 (Homo sapiens (Human)) | BDBM50327339 (2-(1-(2-ethylphenyl)-3-methyl-4-(quinoxalin-6-yl)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG Curated by ChEMBL | Assay Description Antagonist activity at adenosine A1 receptor by cAMP assay | Bioorg Med Chem Lett 20: 5891-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.095 BindingDB Entry DOI: 10.7270/Q2FQ9WV8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50327339 (2-(1-(2-ethylphenyl)-3-methyl-4-(quinoxalin-6-yl)-...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG Curated by ChEMBL | Assay Description Antagonist activity at adenosine A2B receptor by cAMP assay | Bioorg Med Chem Lett 20: 5891-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.095 BindingDB Entry DOI: 10.7270/Q2FQ9WV8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50327339 (2-(1-(2-ethylphenyl)-3-methyl-4-(quinoxalin-6-yl)-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG Curated by ChEMBL | Assay Description Antagonist activity at adenosine A2A receptor by cAMP assay | Bioorg Med Chem Lett 20: 5891-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.095 BindingDB Entry DOI: 10.7270/Q2FQ9WV8 | |||||||||||
More data for this Ligand-Target Pair |