BDBM175376 1,3-Dimethyl-8-[4-{2-(homoveratrylamino)-2-oxoethoxy}-phenyl]xanthine (13i, RB-422)

SMILES: COc1ccc(CCNC(=O)COc2ccc(cc2)C2=NC3C(N2)C(=O)N(C)C(=O)N3C)cc1OC

InChI Key: InChIKey=NUPAVXPUUAMNMT-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 = 175376   

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))	BDBM175376 (1,3-Dimethyl-8-[4-{2-(homoveratrylamino)-2-oxoetho...) Show SMILES COc1ccc(CCNC(=O)COc2ccc(cc2)C2=NC3C(N2)C(=O)N(C)C(=O)N3C)cc1OC |t:20| Show InChI InChI=1S/C25H29N5O6/c1-29-23-21(24(32)30(2)25(29)33)27-22(28-23)16-6-8-17(9-7-16)36-14-20(31)26-12-11-15-5-10-18(34-3)19(13-15)35-4/h5-10,13,21,23H,11-12,14H2,1-4H3,(H,26,31)(H,27,28)	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	128	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))	BDBM175376 (1,3-Dimethyl-8-[4-{2-(homoveratrylamino)-2-oxoetho...) Show SMILES COc1ccc(CCNC(=O)COc2ccc(cc2)C2=NC3C(N2)C(=O)N(C)C(=O)N3C)cc1OC |t:20| Show InChI InChI=1S/C25H29N5O6/c1-29-23-21(24(32)30(2)25(29)33)27-22(28-23)16-6-8-17(9-7-16)36-14-20(31)26-12-11-15-5-10-18(34-3)19(13-15)35-4/h5-10,13,21,23H,11-12,14H2,1-4H3,(H,26,31)(H,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	516	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))	BDBM175376 (1,3-Dimethyl-8-[4-{2-(homoveratrylamino)-2-oxoetho...) Show SMILES COc1ccc(CCNC(=O)COc2ccc(cc2)C2=NC3C(N2)C(=O)N(C)C(=O)N3C)cc1OC |t:20| Show InChI InChI=1S/C25H29N5O6/c1-29-23-21(24(32)30(2)25(29)33)27-22(28-23)16-6-8-17(9-7-16)36-14-20(31)26-12-11-15-5-10-18(34-3)19(13-15)35-4/h5-10,13,21,23H,11-12,14H2,1-4H3,(H,26,31)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.68E+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))	BDBM175376 (1,3-Dimethyl-8-[4-{2-(homoveratrylamino)-2-oxoetho...) Show SMILES COc1ccc(CCNC(=O)COc2ccc(cc2)C2=NC3C(N2)C(=O)N(C)C(=O)N3C)cc1OC |t:20| Show InChI InChI=1S/C25H29N5O6/c1-29-23-21(24(32)30(2)25(29)33)27-22(28-23)16-6-8-17(9-7-16)36-14-20(31)26-12-11-15-5-10-18(34-3)19(13-15)35-4/h5-10,13,21,23H,11-12,14H2,1-4H3,(H,26,31)(H,27,28)	GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.00E+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