BDBM175395 1,3-Dimethyl-8-[{3-(2-(dimethylaminoethylamino)-2-oxoethoxy)-4-methoxy}-phenyl]-xanthine (16a, RB-413)

SMILES: COc1ccc(cc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1

InChI Key: InChIKey=HRFAEZWDSALPPI-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 = 175395   

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))	BDBM175395 (1,3-Dimethyl-8-[{3-(2-(dimethylaminoethylamino)-2-...) Show SMILES COc1ccc(cc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H26N6O5/c1-24(2)9-8-21-15(27)11-31-14-10-12(6-7-13(14)30-5)17-22-16-18(23-17)25(3)20(29)26(4)19(16)28/h6-7,10H,8-9,11H2,1-5H3,(H,21,27)(H,22,23)	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	75	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))	BDBM175395 (1,3-Dimethyl-8-[{3-(2-(dimethylaminoethylamino)-2-...) Show SMILES COc1ccc(cc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H26N6O5/c1-24(2)9-8-21-15(27)11-31-14-10-12(6-7-13(14)30-5)17-22-16-18(23-17)25(3)20(29)26(4)19(16)28/h6-7,10H,8-9,11H2,1-5H3,(H,21,27)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	847	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))	BDBM175395 (1,3-Dimethyl-8-[{3-(2-(dimethylaminoethylamino)-2-...) Show SMILES COc1ccc(cc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H26N6O5/c1-24(2)9-8-21-15(27)11-31-14-10-12(6-7-13(14)30-5)17-22-16-18(23-17)25(3)20(29)26(4)19(16)28/h6-7,10H,8-9,11H2,1-5H3,(H,21,27)(H,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80E+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))	BDBM175395 (1,3-Dimethyl-8-[{3-(2-(dimethylaminoethylamino)-2-...) Show SMILES COc1ccc(cc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H26N6O5/c1-24(2)9-8-21-15(27)11-31-14-10-12(6-7-13(14)30-5)17-22-16-18(23-17)25(3)20(29)26(4)19(16)28/h6-7,10H,8-9,11H2,1-5H3,(H,21,27)(H,22,23)	GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	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