BDBM175394 1,3-Dimethyl-8-[{4-(2-(homoveratrylamino)-2-oxoethoxy)-3-methoxy}-phenyl]-xanthine (15i, RB-389)

SMILES: COc1ccc(CCNC(=O)COc2ccc(cc2OC)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC

InChI Key: InChIKey=BFYUKZCEESTNPD-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 = 175394   

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))	BDBM175394 (1,3-Dimethyl-8-[{4-(2-(homoveratrylamino)-2-oxoeth...) Show SMILES COc1ccc(CCNC(=O)COc2ccc(cc2OC)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC Show InChI InChI=1S/C26H29N5O7/c1-30-24-22(25(33)31(2)26(30)34)28-23(29-24)16-7-9-18(20(13-16)37-5)38-14-21(32)27-11-10-15-6-8-17(35-3)19(12-15)36-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,27,32)(H,28,29)	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	843	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))	BDBM175394 (1,3-Dimethyl-8-[{4-(2-(homoveratrylamino)-2-oxoeth...) Show SMILES COc1ccc(CCNC(=O)COc2ccc(cc2OC)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC Show InChI InChI=1S/C26H29N5O7/c1-30-24-22(25(33)31(2)26(30)34)28-23(29-24)16-7-9-18(20(13-16)37-5)38-14-21(32)27-11-10-15-6-8-17(35-3)19(12-15)36-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,27,32)(H,28,29)	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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM175394 (1,3-Dimethyl-8-[{4-(2-(homoveratrylamino)-2-oxoeth...) Show SMILES COc1ccc(CCNC(=O)COc2ccc(cc2OC)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC Show InChI InChI=1S/C26H29N5O7/c1-30-24-22(25(33)31(2)26(30)34)28-23(29-24)16-7-9-18(20(13-16)37-5)38-14-21(32)27-11-10-15-6-8-17(35-3)19(12-15)36-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,27,32)(H,28,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM175394 (1,3-Dimethyl-8-[{4-(2-(homoveratrylamino)-2-oxoeth...) Show SMILES COc1ccc(CCNC(=O)COc2ccc(cc2OC)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC Show InChI InChI=1S/C26H29N5O7/c1-30-24-22(25(33)31(2)26(30)34)28-23(29-24)16-7-9-18(20(13-16)37-5)38-14-21(32)27-11-10-15-6-8-17(35-3)19(12-15)36-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,27,32)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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