BDBM50233083 1-butyl-8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL251878

SMILES: CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1

InChI Key: InChIKey=QSEYHOMIGYEFFY-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 = 50233083   

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))	BDBM50233083 (1-butyl-8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C21H19ClN8O3/c1-2-3-8-30-20(31)16-18(27-21(30)32)26-17(25-16)13-9-23-29(10-13)11-15-24-19(33-28-15)12-4-6-14(22)7-5-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,25,26)(H,27,32)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes				Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50233083 (1-butyl-8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C21H19ClN8O3/c1-2-3-8-30-20(31)16-18(27-21(30)32)26-17(25-16)13-9-23-29(10-13)11-15-24-19(33-28-15)12-4-6-14(22)7-5-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,25,26)(H,27,32)	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	>5.00E+3	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]ZM241385 from human A2A receptor expressed in HEK293 cell membranes				Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50233083 (1-butyl-8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C21H19ClN8O3/c1-2-3-8-30-20(31)16-18(27-21(30)32)26-17(25-16)13-9-23-29(10-13)11-15-24-19(33-28-15)12-4-6-14(22)7-5-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,25,26)(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+3	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 A1 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50233083 (1-butyl-8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C21H19ClN8O3/c1-2-3-8-30-20(31)16-18(27-21(30)32)26-17(25-16)13-9-23-29(10-13)11-15-24-19(33-28-15)12-4-6-14(22)7-5-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,25,26)(H,27,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.00E+3	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 [125I]-AB-MECA from human A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ
					More data for this Ligand-Target Pair