BDBM50268247 8-(4-(4-Phenethylpiperazine-1-sulfonyl)phenyl)-1-propyl-3,7-dihydropurine-2,6-dione::CHEMBL488541

SMILES: CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1

InChI Key: InChIKey=UOSGXUGKZYRNKU-UHFFFAOYSA-N

Data: 6 KI  1 IC50

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 7 hits for monomerid = 50268247   

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))	BDBM50268247 (8-(4-(4-Phenethylpiperazine-1-sulfonyl)phenyl)-1-p...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C26H30N6O4S/c1-2-13-32-25(33)22-24(29-26(32)34)28-23(27-22)20-8-10-21(11-9-20)37(35,36)31-17-15-30(16-18-31)14-12-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3,(H,27,28)(H,29,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.51	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 receptor A2a (Homo sapiens (Human))	BDBM50268247 (8-(4-(4-Phenethylpiperazine-1-sulfonyl)phenyl)-1-p...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C26H30N6O4S/c1-2-13-32-25(33)22-24(29-26(32)34)28-23(27-22)20-8-10-21(11-9-20)37(35,36)31-17-15-30(16-18-31)14-12-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3,(H,27,28)(H,29,34)	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	271	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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50268247 (8-(4-(4-Phenethylpiperazine-1-sulfonyl)phenyl)-1-p...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C26H30N6O4S/c1-2-13-32-25(33)22-24(29-26(32)34)28-23(27-22)20-8-10-21(11-9-20)37(35,36)31-17-15-30(16-18-31)14-12-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3,(H,27,28)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	681	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 A3 (Homo sapiens (Human))	BDBM50268247 (8-(4-(4-Phenethylpiperazine-1-sulfonyl)phenyl)-1-p...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C26H30N6O4S/c1-2-13-32-25(33)22-24(29-26(32)34)28-23(27-22)20-8-10-21(11-9-20)37(35,36)31-17-15-30(16-18-31)14-12-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3,(H,27,28)(H,29,34)	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 A1 (Rattus norvegicus (rat))	BDBM50268247 (8-(4-(4-Phenethylpiperazine-1-sulfonyl)phenyl)-1-p...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C26H30N6O4S/c1-2-13-32-25(33)22-24(29-26(32)34)28-23(27-22)20-8-10-21(11-9-20)37(35,36)31-17-15-30(16-18-31)14-12-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3,(H,27,28)(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 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 A1 (Homo sapiens (Human))	BDBM50268247 (8-(4-(4-Phenethylpiperazine-1-sulfonyl)phenyl)-1-p...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C26H30N6O4S/c1-2-13-32-25(33)22-24(29-26(32)34)28-23(27-22)20-8-10-21(11-9-20)37(35,36)31-17-15-30(16-18-31)14-12-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3,(H,27,28)(H,29,34)	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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268247 (8-(4-(4-Phenethylpiperazine-1-sulfonyl)phenyl)-1-p...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C26H30N6O4S/c1-2-13-32-25(33)22-24(29-26(32)34)28-23(27-22)20-8-10-21(11-9-20)37(35,36)31-17-15-30(16-18-31)14-12-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3,(H,27,28)(H,29,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.9	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...				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