BDBM50330627 3-Benzyl-6-isopropyl-9-phenyl-1-pyridin-4-yl-pyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one::CHEMBL1277926
SMILES: CC(C)c1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
InChI Key: InChIKey=SLEPPLXCGFHNMN-UHFFFAOYSA-N
Data: 2 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 (Homo sapiens (Human)) | BDBM50330627 (3-Benzyl-6-isopropyl-9-phenyl-1-pyridin-4-yl-pyraz...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 192 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL | Assay Description Binding affinity to human adenosine A1 receptor | Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50330627 (3-Benzyl-6-isopropyl-9-phenyl-1-pyridin-4-yl-pyraz...) | 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 | 5.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL | Assay Description Binding affinity to human adenosine A2a receptor | Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510 | |||||||||||
More data for this Ligand-Target Pair |