null

SMILES: CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1

InChI Key: InChIKey=YKKVZODYHDNTJR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50110980   

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))	BDBM50110980 (4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1 Show InChI InChI=1S/C25H25N5O6/c1-3-4-13-30-23(32)20-22(29-25(30)34)28-21(27-20)15-7-11-18(12-8-15)36-14-19(31)26-17-9-5-16(6-10-17)24(33)35-2/h5-12H,3-4,13-14H2,1-2H3,(H,26,31)(H,27,28)(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50110980 (4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1 Show InChI InChI=1S/C25H25N5O6/c1-3-4-13-30-23(32)20-22(29-25(30)34)28-21(27-20)15-7-11-18(12-8-15)36-14-19(31)26-17-9-5-16(6-10-17)24(33)35-2/h5-12H,3-4,13-14H2,1-2H3,(H,26,31)(H,27,28)(H,29,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	676	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 A2a (Rattus norvegicus (rat))	BDBM50110980 (4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1 Show InChI InChI=1S/C25H25N5O6/c1-3-4-13-30-23(32)20-22(29-25(30)34)28-21(27-20)15-7-11-18(12-8-15)36-14-19(31)26-17-9-5-16(6-10-17)24(33)35-2/h5-12H,3-4,13-14H2,1-2H3,(H,26,31)(H,27,28)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	479	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]-MSX-2 binding to rat adenosine A2A receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110980 (4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1 Show InChI InChI=1S/C25H25N5O6/c1-3-4-13-30-23(32)20-22(29-25(30)34)28-21(27-20)15-7-11-18(12-8-15)36-14-19(31)26-17-9-5-16(6-10-17)24(33)35-2/h5-12H,3-4,13-14H2,1-2H3,(H,26,31)(H,27,28)(H,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	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