BDBM50330621 1,6-Dimethyl-9-phenyl-3-(1-phenylethyl)pyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one::CHEMBL1277207

SMILES: CC(c1ccccc1)n1nc(C)c2c3cc(nn3c(C)nc2c1=O)-c1ccccc1

InChI Key: InChIKey=YSNYZLUBXDTXPJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50330621   

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))	BDBM50330621 (1,6-Dimethyl-9-phenyl-3-(1-phenylethyl)pyrazolo[1'...) Show SMILES CC(c1ccccc1)n1nc(C)c2c3cc(nn3c(C)nc2c1=O)-c1ccccc1 Show InChI InChI=1S/C24H21N5O/c1-15-22-21-14-20(19-12-8-5-9-13-19)27-29(21)17(3)25-23(22)24(30)28(26-15)16(2)18-10-6-4-7-11-18/h4-14,16H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.08E+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 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 A3 (Homo sapiens (Human))	BDBM50330621 (1,6-Dimethyl-9-phenyl-3-(1-phenylethyl)pyrazolo[1'...) Show SMILES CC(c1ccccc1)n1nc(C)c2c3cc(nn3c(C)nc2c1=O)-c1ccccc1 Show InChI InChI=1S/C24H21N5O/c1-15-22-21-14-20(19-12-8-5-9-13-19)27-29(21)17(3)25-23(22)24(30)28(26-15)16(2)18-10-6-4-7-11-18/h4-14,16H,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.73E+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 Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 180 mins				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