BDBM50190708 2-(4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)phenylsulfonamido)acetic acid::4-(1,3-dimethylxanthin-8-yl)phenylsulfonamidoacetic acid::CHEMBL213878

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

InChI Key: InChIKey=CCPDVJVWPABVLL-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50190708   

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))	BDBM50190708 (2-(4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C15H15N5O6S/c1-19-13-11(14(23)20(2)15(19)24)17-12(18-13)8-3-5-9(6-4-8)27(25,26)16-7-10(21)22/h3-6,16H,7H2,1-2H3,(H,17,18)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity against rat adenosine A1 receptor				Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50190708 (2-(4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C15H15N5O6S/c1-19-13-11(14(23)20(2)15(19)24)17-12(18-13)8-3-5-9(6-4-8)27(25,26)16-7-10(21)22/h3-6,16H,7H2,1-2H3,(H,17,18)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	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))	BDBM50190708 (2-(4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C15H15N5O6S/c1-19-13-11(14(23)20(2)15(19)24)17-12(18-13)8-3-5-9(6-4-8)27(25,26)16-7-10(21)22/h3-6,16H,7H2,1-2H3,(H,17,18)(H,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	154	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 receptor A2b (Homo sapiens (Human))	BDBM50190708 (2-(4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C15H15N5O6S/c1-19-13-11(14(23)20(2)15(19)24)17-12(18-13)8-3-5-9(6-4-8)27(25,26)16-7-10(21)22/h3-6,16H,7H2,1-2H3,(H,17,18)(H,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A2B receptor				Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50190708 (2-(4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C15H15N5O6S/c1-19-13-11(14(23)20(2)15(19)24)17-12(18-13)8-3-5-9(6-4-8)27(25,26)16-7-10(21)22/h3-6,16H,7H2,1-2H3,(H,17,18)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	182	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
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50190708 (2-(4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C15H15N5O6S/c1-19-13-11(14(23)20(2)15(19)24)17-12(18-13)8-3-5-9(6-4-8)27(25,26)16-7-10(21)22/h3-6,16H,7H2,1-2H3,(H,17,18)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity against rat adenosine A2A receptor				Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50190708 (2-(4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C15H15N5O6S/c1-19-13-11(14(23)20(2)15(19)24)17-12(18-13)8-3-5-9(6-4-8)27(25,26)16-7-10(21)22/h3-6,16H,7H2,1-2H3,(H,17,18)(H,21,22)	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
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A3 receptor				Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG
					More data for this Ligand-Target Pair