BDBM50190700 8-[4-(2-hydroxyethylamidosulfonyl)phenyl]-1,3-dimethylxanthine::CHEMBL377106

SMILES: Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCO

InChI Key: InChIKey=VNXFJFCNDLPYDS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50190700   

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 A1 (Rattus norvegicus (rat))	BDBM50190700 (8-[4-(2-hydroxyethylamidosulfonyl)phenyl]-1,3-dime...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C15H17N5O5S/c1-19-13-11(14(22)20(2)15(19)23)17-12(18-13)9-3-5-10(6-4-9)26(24,25)16-7-8-21/h3-6,16,21H,7-8H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes				J Med Chem 49: 4384-91 (2006) Article DOI: 10.1021/jm060277v BindingDB Entry DOI: 10.7270/Q2DV1JHP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50190700 (8-[4-(2-hydroxyethylamidosulfonyl)phenyl]-1,3-dime...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C15H17N5O5S/c1-19-13-11(14(22)20(2)15(19)23)17-12(18-13)9-3-5-10(6-4-9)26(24,25)16-7-8-21/h3-6,16,21H,7-8H2,1-2H3,(H,17,18)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells				J Med Chem 49: 4384-91 (2006) Article DOI: 10.1021/jm060277v BindingDB Entry DOI: 10.7270/Q2DV1JHP
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50190700 (8-[4-(2-hydroxyethylamidosulfonyl)phenyl]-1,3-dime...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C15H17N5O5S/c1-19-13-11(14(22)20(2)15(19)23)17-12(18-13)9-3-5-10(6-4-9)26(24,25)16-7-8-21/h3-6,16,21H,7-8H2,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes				J Med Chem 49: 4384-91 (2006) Article DOI: 10.1021/jm060277v BindingDB Entry DOI: 10.7270/Q2DV1JHP
					More data for this Ligand-Target Pair