BDBM50037434 CHEMBL114975::[(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-ethylcarbamoyloxymethyl)-(9H-fluoren-9-ylmethoxycarbonyl)-amino]-acetic acid
SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)OCN(CC(O)=O)C(=O)OCC2c3ccccc3-c3ccccc23)cc1
InChI Key: InChIKey=WHOFFZQVECYNTF-UHFFFAOYSA-N
Data: 3 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)) | BDBM50037434 (CHEMBL114975 | [(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 19.1 | 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 Displacement of [3H]-PIA from adenosine A1 receptors of rat brain membrane | J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Rattus norvegicus (rat)) | BDBM50037434 (CHEMBL114975 | [(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 330 | 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 Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane | J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Rattus norvegicus) | BDBM50037434 (CHEMBL114975 | [(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 2.17E+4 | 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 Displacement of [125I]-AB-MECA from membranes of CHO cells stably transfected with the rat adenosine A3 receptor cDNA | J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW | |||||||||||
More data for this Ligand-Target Pair |