BDBM50330631 3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1277116

SMILES: O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1

InChI Key: InChIKey=YQSXASIKWPYYFD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50330631   

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))	BDBM50330631 (3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,...) Show SMILES O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-14-21(29-32(22)17-28-25)19-10-5-2-6-11-19)24(20-12-7-13-27-15-20)30-31(26)16-18-8-3-1-4-9-18/h1-15,17H,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins				Eur J Med Chem 89: 32-41 (2014) Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330631 (3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,...) Show SMILES O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-14-21(29-32(22)17-28-25)19-10-5-2-6-11-19)24(20-12-7-13-27-15-20)30-31(26)16-18-8-3-1-4-9-18/h1-15,17H,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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))	BDBM50330631 (3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,...) Show SMILES O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-14-21(29-32(22)17-28-25)19-10-5-2-6-11-19)24(20-12-7-13-27-15-20)30-31(26)16-18-8-3-1-4-9-18/h1-15,17H,16H2	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	805	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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330631 (3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,...) Show SMILES O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-14-21(29-32(22)17-28-25)19-10-5-2-6-11-19)24(20-12-7-13-27-15-20)30-31(26)16-18-8-3-1-4-9-18/h1-15,17H,16H2	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	805	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells after 120 mins				Eur J Med Chem 89: 32-41 (2014) Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC
					More data for this Ligand-Target Pair