BDBM50004716 (2R,3R)-2-Methyl-3,7-diphenyl-5-propoxy-2,7-dihydro-3H-imidazo[1,2-c]pyrazolo[4,3-e]pyrimidine::2-Methyl-3,6-diphenyl-4-propoxy-2,6-dihydro-3H-1,3a,5,6,7-pentaaza-as-indacene::CHEMBL111729
SMILES: CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@H](N12)c1ccccc1
InChI Key: InChIKey=SWJWVTBKVUVWHZ-UZLBHIALSA-N
Data: 4 KI
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 (Rattus norvegicus (rat)) | BDBM50004716 ((2R,3R)-2-Methyl-3,7-diphenyl-5-propoxy-2,7-dihydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Marion Merrell Dow Research Institute Curated by ChEMBL | Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in whole rat brain membranes | J Med Chem 35: 3263-9 (1992) BindingDB Entry DOI: 10.7270/Q2QF8RTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50004716 ((2R,3R)-2-Methyl-3,7-diphenyl-5-propoxy-2,7-dihydr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Binding affinity for rat brain Adenosine A1 receptor | Bioorg Med Chem Lett 8: 695-8 (1999) BindingDB Entry DOI: 10.7270/Q2X63NGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50004716 ((2R,3R)-2-Methyl-3,7-diphenyl-5-propoxy-2,7-dihydr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Binding affinity against Adenosine A2a receptor from rat striata | Bioorg Med Chem Lett 8: 695-8 (1999) BindingDB Entry DOI: 10.7270/Q2X63NGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50004716 ((2R,3R)-2-Methyl-3,7-diphenyl-5-propoxy-2,7-dihydr...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Marion Merrell Dow Research Institute Curated by ChEMBL | Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ... | J Med Chem 35: 3263-9 (1992) BindingDB Entry DOI: 10.7270/Q2QF8RTH | |||||||||||
More data for this Ligand-Target Pair |