BDBM50330634 3-Benzyl-1,9-diphenyl-6-n-propylpyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1277480

SMILES: CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccccc2)c2cc(nn12)-c1ccccc1

InChI Key: InChIKey=WIBHTXPHISHFEQ-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50330634   

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))	BDBM50330634 (3-Benzyl-1,9-diphenyl-6-n-propylpyrazolo[1',5':1,6...) Show SMILES CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccccc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C30H25N5O/c1-2-12-26-31-29-27(25-19-24(32-35(25)26)22-15-8-4-9-16-22)28(23-17-10-5-11-18-23)33-34(30(29)36)20-21-13-6-3-7-14-21/h3-11,13-19H,2,12,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	564	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