BDBM50224355 CHEMBL235513::N-(8-chloro-1-oxo-2-phenyl-1H-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalen-4-yl)-4-methoxy-benzamide
SMILES: COc1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O
InChI Key: InChIKey=INRIIUBXDAGQHA-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 A3 (Homo sapiens (Human)) | BDBM50224355 (CHEMBL235513 | N-(8-chloro-1-oxo-2-phenyl-1H-3,3a,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells | J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50224355 (CHEMBL235513 | N-(8-chloro-1-oxo-2-phenyl-1H-3,3a,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells | J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50224355 (CHEMBL235513 | N-(8-chloro-1-oxo-2-phenyl-1H-3,3a,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells | J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50224355 (CHEMBL235513 | N-(8-chloro-1-oxo-2-phenyl-1H-3,3a,...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP accumulation | J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50224355 (CHEMBL235513 | N-(8-chloro-1-oxo-2-phenyl-1H-3,3a,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.14 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation | J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX | |||||||||||
More data for this Ligand-Target Pair |