BDBM50006716 1,3-Dimethyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione::CHEMBL26979

SMILES: COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc(OC)c1OC

InChI Key: InChIKey=BPIQNFNKBYWCNB-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 = 50006716   

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 A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006716 (1,3-Dimethyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]...) Show SMILES COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4| Show InChI InChI=1S/C18H20N4O5/c1-21-16-14(17(23)22(2)18(21)24)19-13(20-16)7-6-10-8-11(25-3)15(27-5)12(9-10)26-4/h6-9H,1-5H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006716 (1,3-Dimethyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]...) Show SMILES COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4| Show InChI InChI=1S/C18H20N4O5/c1-21-16-14(17(23)22(2)18(21)24)19-13(20-16)7-6-10-8-11(25-3)15(27-5)12(9-10)26-4/h6-9H,1-5H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand				J Med Chem 36: 1333-42 (1993) BindingDB Entry DOI: 10.7270/Q2BV7FPB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50006716 (1,3-Dimethyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]...) Show SMILES COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4| Show InChI InChI=1S/C18H20N4O5/c1-21-16-14(17(23)22(2)18(21)24)19-13(20-16)7-6-10-8-11(25-3)15(27-5)12(9-10)26-4/h6-9H,1-5H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand				J Med Chem 36: 1333-42 (1993) BindingDB Entry DOI: 10.7270/Q2BV7FPB
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50006716 (1,3-Dimethyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]...) Show SMILES COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4| Show InChI InChI=1S/C18H20N4O5/c1-21-16-14(17(23)22(2)18(21)24)19-13(20-16)7-6-10-8-11(25-3)15(27-5)12(9-10)26-4/h6-9H,1-5H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair