BDBM50322846 3-ethyl-1-propyl-8-(1-((pyridin-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::3-ethyl-1-propyl-8-(1-(pyridin-3-yl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL261526

SMILES: CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1cccnc1

InChI Key: InChIKey=ODPMHVSWDDFIKK-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50322846   

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 A2b (Homo sapiens (Human))	BDBM50322846 (3-ethyl-1-propyl-8-(1-((pyridin-3-yl)methyl)-1H-py...) Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1cccnc1 Show InChI InChI=1S/C18H19N7O2/c1-3-8-24-17(26)14-16(23(4-2)18(24)27)22-15(21-14)12-9-20-25(11-12)13-6-5-7-19-10-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,21,22)	NCI pathway Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A2B receptor				Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50322846 (3-ethyl-1-propyl-8-(1-((pyridin-3-yl)methyl)-1H-py...) Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1cccnc1 Show InChI InChI=1S/C18H19N7O2/c1-3-8-24-17(26)14-16(23(4-2)18(24)27)22-15(21-14)12-9-20-25(11-12)13-6-5-7-19-10-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,21,22)	NCI pathway Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells				J Med Chem 51: 2267-78 (2008) Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50322846 (3-ethyl-1-propyl-8-(1-((pyridin-3-yl)methyl)-1H-py...) Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1cccnc1 Show InChI InChI=1S/C18H19N7O2/c1-3-8-24-17(26)14-16(23(4-2)18(24)27)22-15(21-14)12-9-20-25(11-12)13-6-5-7-19-10-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	312	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A2A receptor				Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50322846 (3-ethyl-1-propyl-8-(1-((pyridin-3-yl)methyl)-1H-py...) Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1cccnc1 Show InChI InChI=1S/C18H19N7O2/c1-3-8-24-17(26)14-16(23(4-2)18(24)27)22-15(21-14)12-9-20-25(11-12)13-6-5-7-19-10-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	312	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells				J Med Chem 51: 2267-78 (2008) Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50322846 (3-ethyl-1-propyl-8-(1-((pyridin-3-yl)methyl)-1H-py...) Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1cccnc1 Show InChI InChI=1S/C18H19N7O2/c1-3-8-24-17(26)14-16(23(4-2)18(24)27)22-15(21-14)12-9-20-25(11-12)13-6-5-7-19-10-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	522	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CPX from human recombinant adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 2267-78 (2008) Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50322846 (3-ethyl-1-propyl-8-(1-((pyridin-3-yl)methyl)-1H-py...) Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1cccnc1 Show InChI InChI=1S/C18H19N7O2/c1-3-8-24-17(26)14-16(23(4-2)18(24)27)22-15(21-14)12-9-20-25(11-12)13-6-5-7-19-10-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	522	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A1 receptor				Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG
					More data for this Ligand-Target Pair