BDBM175373 1,3-Dimethyl-8-[4-{2-(morpholin-1-yl)-2-oxoethoxy}-phenyl]xanthine (13f, RB-423)

SMILES: CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)N2CCOCC2)cc1

InChI Key: InChIKey=QLAJNJXYWFVPBN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 175373   

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 A2a (Homo sapiens (Human))	BDBM175373 (1,3-Dimethyl-8-[4-{2-(morpholin-1-yl)-2-oxoethoxy}...) Show SMILES CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)N2CCOCC2)cc1 |c:3| Show InChI InChI=1S/C19H23N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-3-5-13(6-4-12)29-11-14(25)24-7-9-28-10-8-24/h3-6,15,17H,7-11H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	283	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM175373 (1,3-Dimethyl-8-[4-{2-(morpholin-1-yl)-2-oxoethoxy}...) Show SMILES CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)N2CCOCC2)cc1 |c:3| Show InChI InChI=1S/C19H23N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-3-5-13(6-4-12)29-11-14(25)24-7-9-28-10-8-24/h3-6,15,17H,7-11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM175373 (1,3-Dimethyl-8-[4-{2-(morpholin-1-yl)-2-oxoethoxy}...) Show SMILES CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)N2CCOCC2)cc1 |c:3| Show InChI InChI=1S/C19H23N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-3-5-13(6-4-12)29-11-14(25)24-7-9-28-10-8-24/h3-6,15,17H,7-11H2,1-2H3,(H,20,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 (A3) (Homo sapiens (Human))	BDBM175373 (1,3-Dimethyl-8-[4-{2-(morpholin-1-yl)-2-oxoethoxy}...) Show SMILES CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)N2CCOCC2)cc1 |c:3| Show InChI InChI=1S/C19H23N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-3-5-13(6-4-12)29-11-14(25)24-7-9-28-10-8-24/h3-6,15,17H,7-11H2,1-2H3,(H,20,21)	GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair