BDBM50290168 1,3-Diethyl-7-methyl-8-[(E)-2-(2,3,4-trimethoxy-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione::CHEMBL77699

SMILES: CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CC)c1=O

InChI Key: InChIKey=CHBQGXAYJRZXCQ-ZRDIBKRKSA-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 = 50290168   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50290168 (1,3-Diethyl-7-methyl-8-[(E)-2-(2,3,4-trimethoxy-ph...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O5/c1-7-24-19-16(20(26)25(8-2)21(24)27)23(3)15(22-19)12-10-13-9-11-14(28-4)18(30-6)17(13)29-5/h9-12H,7-8H2,1-6H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus (rat))	BDBM50290168 (1,3-Diethyl-7-methyl-8-[(E)-2-(2,3,4-trimethoxy-ph...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O5/c1-7-24-19-16(20(26)25(8-2)21(24)27)23(3)15(22-19)12-10-13-9-11-14(28-4)18(30-6)17(13)29-5/h9-12H,7-8H2,1-6H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against Adenosine A2a receptor in rat forebrain membranes by [3H]-NECA (+CPA) displacement.				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Adenosine receptor (Rattus norvegicus (rat))	BDBM50290168 (1,3-Diethyl-7-methyl-8-[(E)-2-(2,3,4-trimethoxy-ph...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O5/c1-7-24-19-16(20(26)25(8-2)21(24)27)23(3)15(22-19)12-10-13-9-11-14(28-4)18(30-6)17(13)29-5/h9-12H,7-8H2,1-6H3/b12-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50290168 (1,3-Diethyl-7-methyl-8-[(E)-2-(2,3,4-trimethoxy-ph...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O5/c1-7-24-19-16(20(26)25(8-2)21(24)27)23(3)15(22-19)12-10-13-9-11-14(28-4)18(30-6)17(13)29-5/h9-12H,7-8H2,1-6H3/b12-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CHA from Adenosine A1 receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair