BDBM50086187 CHEMBL16534::N-(3-Acetyl-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2cccc(c2)C(C)=O)cc1

InChI Key: InChIKey=DSQNPGQGZQBMQL-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50086187   

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))	BDBM50086187 (CHEMBL16534 | N-(3-Acetyl-phenyl)-2-[4-(2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2cccc(c2)C(C)=O)cc1 Show InChI InChI=1S/C27H29N5O5/c1-4-13-31-25-23(26(35)32(14-5-2)27(31)36)29-24(30-25)18-9-11-21(12-10-18)37-16-22(34)28-20-8-6-7-19(15-20)17(3)33/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,34)(H,29,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50086187 (CHEMBL16534 | N-(3-Acetyl-phenyl)-2-[4-(2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2cccc(c2)C(C)=O)cc1 Show InChI InChI=1S/C27H29N5O5/c1-4-13-31-25-23(26(35)32(14-5-2)27(31)36)29-24(30-25)18-9-11-21(12-10-18)37-16-22(34)28-20-8-6-7-19(15-20)17(3)33/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,34)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against recombinant human adenosine A2A receptor expressed in HEK-293 cells in presence of [125I]-iodo-ZM241385 radioligand.				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50086187 (CHEMBL16534 | N-(3-Acetyl-phenyl)-2-[4-(2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2cccc(c2)C(C)=O)cc1 Show InChI InChI=1S/C27H29N5O5/c1-4-13-31-25-23(26(35)32(14-5-2)27(31)36)29-24(30-25)18-9-11-21(12-10-18)37-16-22(34)28-20-8-6-7-19(15-20)17(3)33/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,34)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against recombinant human adenosine A1 receptor expressed in HEK-293 cells in presence of [125I]-IABA radioligand.				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50086187 (CHEMBL16534 | N-(3-Acetyl-phenyl)-2-[4-(2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2cccc(c2)C(C)=O)cc1 Show InChI InChI=1S/C27H29N5O5/c1-4-13-31-25-23(26(35)32(14-5-2)27(31)36)29-24(30-25)18-9-11-21(12-10-18)37-16-22(34)28-20-8-6-7-19(15-20)17(3)33/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,34)(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	352	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A3 receptor expressed in HEK cells in presence of [125]IAB-MECA or [125I]-IABA radioligand.				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50086187 (CHEMBL16534 | N-(3-Acetyl-phenyl)-2-[4-(2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2cccc(c2)C(C)=O)cc1 Show InChI InChI=1S/C27H29N5O5/c1-4-13-31-25-23(26(35)32(14-5-2)27(31)36)29-24(30-25)18-9-11-21(12-10-18)37-16-22(34)28-20-8-6-7-19(15-20)17(3)33/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,34)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	439	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50086187 (CHEMBL16534 | N-(3-Acetyl-phenyl)-2-[4-(2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2cccc(c2)C(C)=O)cc1 Show InChI InChI=1S/C27H29N5O5/c1-4-13-31-25-23(26(35)32(14-5-2)27(31)36)29-24(30-25)18-9-11-21(12-10-18)37-16-22(34)28-20-8-6-7-19(15-20)17(3)33/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,34)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	949	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against adenosine A2A receptor in rat striatal membrane in presence of [3H]-CGS-21,680 radioligand.				J Med Chem 43: 1165-72 (2000) BindingDB Entry DOI: 10.7270/Q2M044NW
					More data for this Ligand-Target Pair