null

SMILES: CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(C=CC(O)=O)cc1

InChI Key: InChIKey=VSVVXIKFQPMIDY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50110976   

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))	BDBM50110976 (3-[4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-pur...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(C=CC(O)=O)cc1 |w:19.21| Show InChI InChI=1S/C17H16N4O4/c1-2-9-21-16(24)13-15(20-17(21)25)19-14(18-13)11-6-3-10(4-7-11)5-8-12(22)23/h3-8H,2,9H2,1H3,(H,18,19)(H,20,25)(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50110976 (3-[4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-pur...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(C=CC(O)=O)cc1 |w:19.21| Show InChI InChI=1S/C17H16N4O4/c1-2-9-21-16(24)13-15(20-17(21)25)19-14(18-13)11-6-3-10(4-7-11)5-8-12(22)23/h3-8H,2,9H2,1H3,(H,18,19)(H,20,25)(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-PSB-11 binding to human Adenosine A3 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50110976 (3-[4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-pur...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(C=CC(O)=O)cc1 |w:19.21| Show InChI InChI=1S/C17H16N4O4/c1-2-9-21-16(24)13-15(20-17(21)25)19-14(18-13)11-6-3-10(4-7-11)5-8-12(22)23/h3-8H,2,9H2,1H3,(H,18,19)(H,20,25)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair