BDBM50268245 8-(4-(4-(4-Methoxyphenyl)piperazine-1-sulfonyl)phenyl)-1-propyl-3,7-dihydropurine-2,6-dione::CHEMBL486481

SMILES: CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1

InChI Key: InChIKey=YOEBEGRTAQZAOC-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 = 50268245   

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))	BDBM50268245 (8-(4-(4-(4-Methoxyphenyl)piperazine-1-sulfonyl)phe...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1 Show InChI InChI=1S/C25H28N6O5S/c1-3-12-31-24(32)21-23(28-25(31)33)27-22(26-21)17-4-10-20(11-5-17)37(34,35)30-15-13-29(14-16-30)18-6-8-19(36-2)9-7-18/h4-11H,3,12-16H2,1-2H3,(H,26,27)(H,28,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50268245 (8-(4-(4-(4-Methoxyphenyl)piperazine-1-sulfonyl)phe...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1 Show InChI InChI=1S/C25H28N6O5S/c1-3-12-31-24(32)21-23(28-25(31)33)27-22(26-21)17-4-10-20(11-5-17)37(34,35)30-15-13-29(14-16-30)18-6-8-19(36-2)9-7-18/h4-11H,3,12-16H2,1-2H3,(H,26,27)(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from rat brain striatum adenosine A2A receptor				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50268245 (8-(4-(4-(4-Methoxyphenyl)piperazine-1-sulfonyl)phe...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1 Show InChI InChI=1S/C25H28N6O5S/c1-3-12-31-24(32)21-23(28-25(31)33)27-22(26-21)17-4-10-20(11-5-17)37(34,35)30-15-13-29(14-16-30)18-6-8-19(36-2)9-7-18/h4-11H,3,12-16H2,1-2H3,(H,26,27)(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from rat brain cortex adenosine A1 receptor				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50268245 (8-(4-(4-(4-Methoxyphenyl)piperazine-1-sulfonyl)phe...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1 Show InChI InChI=1S/C25H28N6O5S/c1-3-12-31-24(32)21-23(28-25(31)33)27-22(26-21)17-4-10-20(11-5-17)37(34,35)30-15-13-29(14-16-30)18-6-8-19(36-2)9-7-18/h4-11H,3,12-16H2,1-2H3,(H,26,27)(H,28,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50268245 (8-(4-(4-(4-Methoxyphenyl)piperazine-1-sulfonyl)phe...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1 Show InChI InChI=1S/C25H28N6O5S/c1-3-12-31-24(32)21-23(28-25(31)33)27-22(26-21)17-4-10-20(11-5-17)37(34,35)30-15-13-29(14-16-30)18-6-8-19(36-2)9-7-18/h4-11H,3,12-16H2,1-2H3,(H,26,27)(H,28,33)	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	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50268245 (8-(4-(4-(4-Methoxyphenyl)piperazine-1-sulfonyl)phe...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1 Show InChI InChI=1S/C25H28N6O5S/c1-3-12-31-24(32)21-23(28-25(31)33)27-22(26-21)17-4-10-20(11-5-17)37(34,35)30-15-13-29(14-16-30)18-6-8-19(36-2)9-7-18/h4-11H,3,12-16H2,1-2H3,(H,26,27)(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 52: 3994-4006 (2009) Article DOI: 10.1021/jm900413e BindingDB Entry DOI: 10.7270/Q24J0G1M
					More data for this Ligand-Target Pair