BDBM50006702 7-Methyl-1,3-dipropyl-8-((E)-styryl)-3,7-dihydro-purine-2,6-dione::7-Methyl-1,3-dipropyl-8-styryl-3,7-dihydro-purine-2,6-dione::CHEMBL312079

SMILES: CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=WDTJCQXFAJILPY-VAWYXSNFSA-N

Data: 7 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 7 hits for monomerid = 50006702   

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 and A3 (Rattus norvegicus (rat))	BDBM50006702 (7-Methyl-1,3-dipropyl-8-((E)-styryl)-3,7-dihydro-p...) Show SMILES CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24N4O2/c1-4-13-23-18-17(19(25)24(14-5-2)20(23)26)22(3)16(21-18)12-11-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.90	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 A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006702 (7-Methyl-1,3-dipropyl-8-((E)-styryl)-3,7-dihydro-p...) Show SMILES CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24N4O2/c1-4-13-23-18-17(19(25)24(14-5-2)20(23)26)22(3)16(21-18)12-11-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3/b12-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50006702 (7-Methyl-1,3-dipropyl-8-((E)-styryl)-3,7-dihydro-p...) Show SMILES CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24N4O2/c1-4-13-23-18-17(19(25)24(14-5-2)20(23)26)22(3)16(21-18)12-11-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	15	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 A1 (Rattus norvegicus (rat))	BDBM50006702 (7-Methyl-1,3-dipropyl-8-((E)-styryl)-3,7-dihydro-p...) Show SMILES CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24N4O2/c1-4-13-23-18-17(19(25)24(14-5-2)20(23)26)22(3)16(21-18)12-11-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	100	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
Adenosine receptor (Rattus norvegicus (rat))	BDBM50006702 (7-Methyl-1,3-dipropyl-8-((E)-styryl)-3,7-dihydro-p...) Show SMILES CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24N4O2/c1-4-13-23-18-17(19(25)24(14-5-2)20(23)26)22(3)16(21-18)12-11-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	220	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 A1 (Rattus norvegicus (rat))	BDBM50006702 (7-Methyl-1,3-dipropyl-8-((E)-styryl)-3,7-dihydro-p...) Show SMILES CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24N4O2/c1-4-13-23-18-17(19(25)24(14-5-2)20(23)26)22(3)16(21-18)12-11-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	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 rat forebrain membranes using N6-[3H]-cyclohexyladenosine				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50006702 (7-Methyl-1,3-dipropyl-8-((E)-styryl)-3,7-dihydro-p...) Show SMILES CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24N4O2/c1-4-13-23-18-17(19(25)24(14-5-2)20(23)26)22(3)16(21-18)12-11-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3/b12-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	720	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