BDBM50268248 1-Ethyl-8-(4-(piperidine-1-sulfonyl)phenyl)-3,7-dihydropurine-2,6-dione::CHEMBL488542

SMILES: CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1

InChI Key: InChIKey=JKBIJOCWXVYBKY-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 = 50268248   

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))	BDBM50268248 (1-Ethyl-8-(4-(piperidine-1-sulfonyl)phenyl)-3,7-di...) Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C18H21N5O4S/c1-2-23-17(24)14-16(21-18(23)25)20-15(19-14)12-6-8-13(9-7-12)28(26,27)22-10-4-3-5-11-22/h6-9H,2-5,10-11H2,1H3,(H,19,20)(H,21,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.43	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 A1 (Rattus norvegicus (rat))	BDBM50268248 (1-Ethyl-8-(4-(piperidine-1-sulfonyl)phenyl)-3,7-di...) Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C18H21N5O4S/c1-2-23-17(24)14-16(21-18(23)25)20-15(19-14)12-6-8-13(9-7-12)28(26,27)22-10-4-3-5-11-22/h6-9H,2-5,10-11H2,1H3,(H,19,20)(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77.1	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))	BDBM50268248 (1-Ethyl-8-(4-(piperidine-1-sulfonyl)phenyl)-3,7-di...) Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C18H21N5O4S/c1-2-23-17(24)14-16(21-18(23)25)20-15(19-14)12-6-8-13(9-7-12)28(26,27)22-10-4-3-5-11-22/h6-9H,2-5,10-11H2,1H3,(H,19,20)(H,21,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	209	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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50268248 (1-Ethyl-8-(4-(piperidine-1-sulfonyl)phenyl)-3,7-di...) Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C18H21N5O4S/c1-2-23-17(24)14-16(21-18(23)25)20-15(19-14)12-6-8-13(9-7-12)28(26,27)22-10-4-3-5-11-22/h6-9H,2-5,10-11H2,1H3,(H,19,20)(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	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