BDBM50268165 1-Propyl-8-(4-(4-(3-trifluoromethylbenzyl)piperazine-1-sulfonyl)phenyl)-3,7-dihydropurine-2,6-dione::CHEMBL486688

SMILES: CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1

InChI Key: InChIKey=DXXSLNCEWQRJBH-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 = 50268165   

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))	BDBM50268165 (1-Propyl-8-(4-(4-(3-trifluoromethylbenzyl)piperazi...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C26H27F3N6O4S/c1-2-10-35-24(36)21-23(32-25(35)37)31-22(30-21)18-6-8-20(9-7-18)40(38,39)34-13-11-33(12-14-34)16-17-4-3-5-19(15-17)26(27,28)29/h3-9,15H,2,10-14,16H2,1H3,(H,30,31)(H,32,37)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.775	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))	BDBM50268165 (1-Propyl-8-(4-(4-(3-trifluoromethylbenzyl)piperazi...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C26H27F3N6O4S/c1-2-10-35-24(36)21-23(32-25(35)37)31-22(30-21)18-6-8-20(9-7-18)40(38,39)34-13-11-33(12-14-34)16-17-4-3-5-19(15-17)26(27,28)29/h3-9,15H,2,10-14,16H2,1H3,(H,30,31)(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	273	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 A2a (Homo sapiens (Human))	BDBM50268165 (1-Propyl-8-(4-(4-(3-trifluoromethylbenzyl)piperazi...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C26H27F3N6O4S/c1-2-10-35-24(36)21-23(32-25(35)37)31-22(30-21)18-6-8-20(9-7-18)40(38,39)34-13-11-33(12-14-34)16-17-4-3-5-19(15-17)26(27,28)29/h3-9,15H,2,10-14,16H2,1H3,(H,30,31)(H,32,37)	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	306	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))	BDBM50268165 (1-Propyl-8-(4-(4-(3-trifluoromethylbenzyl)piperazi...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C26H27F3N6O4S/c1-2-10-35-24(36)21-23(32-25(35)37)31-22(30-21)18-6-8-20(9-7-18)40(38,39)34-13-11-33(12-14-34)16-17-4-3-5-19(15-17)26(27,28)29/h3-9,15H,2,10-14,16H2,1H3,(H,30,31)(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+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 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 (Homo sapiens (Human))	BDBM50268165 (1-Propyl-8-(4-(4-(3-trifluoromethylbenzyl)piperazi...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C26H27F3N6O4S/c1-2-10-35-24(36)21-23(32-25(35)37)31-22(30-21)18-6-8-20(9-7-18)40(38,39)34-13-11-33(12-14-34)16-17-4-3-5-19(15-17)26(27,28)29/h3-9,15H,2,10-14,16H2,1H3,(H,30,31)(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.61E+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 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 A3 (Homo sapiens (Human))	BDBM50268165 (1-Propyl-8-(4-(4-(3-trifluoromethylbenzyl)piperazi...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C26H27F3N6O4S/c1-2-10-35-24(36)21-23(32-25(35)37)31-22(30-21)18-6-8-20(9-7-18)40(38,39)34-13-11-33(12-14-34)16-17-4-3-5-19(15-17)26(27,28)29/h3-9,15H,2,10-14,16H2,1H3,(H,30,31)(H,32,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+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]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 A2b (Homo sapiens (Human))	BDBM50268165 (1-Propyl-8-(4-(4-(3-trifluoromethylbenzyl)piperazi...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C26H27F3N6O4S/c1-2-10-35-24(36)21-23(32-25(35)37)31-22(30-21)18-6-8-20(9-7-18)40(38,39)34-13-11-33(12-14-34)16-17-4-3-5-19(15-17)26(27,28)29/h3-9,15H,2,10-14,16H2,1H3,(H,30,31)(H,32,37)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.56	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