BDBM50006707 8-[(E)-2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::8-[2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL75093

SMILES: CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=ZPJUNXOZGNTJJS-DHZHZOJOSA-N

Data: 6 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 6 hits for monomerid = 50006707   

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))	BDBM50006707 (8-[(E)-2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dip...) Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H23ClN4O2/c1-4-12-24-18-17(19(26)25(13-5-2)20(24)27)23(3)16(22-18)11-8-14-6-9-15(21)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	35	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				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))	BDBM50006707 (8-[(E)-2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dip...) Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H23ClN4O2/c1-4-12-24-18-17(19(26)25(13-5-2)20(24)27)23(3)16(22-18)11-8-14-6-9-15(21)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	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))	BDBM50006707 (8-[(E)-2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dip...) Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H23ClN4O2/c1-4-12-24-18-17(19(26)25(13-5-2)20(24)27)23(3)16(22-18)11-8-14-6-9-15(21)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	49	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))	BDBM50006707 (8-[(E)-2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dip...) Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H23ClN4O2/c1-4-12-24-18-17(19(26)25(13-5-2)20(24)27)23(3)16(22-18)11-8-14-6-9-15(21)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	470	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 A1 receptor (GUINEA PIG)	BDBM50006707 (8-[(E)-2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dip...) Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H23ClN4O2/c1-4-12-24-18-17(19(26)25(13-5-2)20(24)27)23(3)16(22-18)11-8-14-6-9-15(21)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	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 guinea pig forebrain membranes				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 A1 receptor (GUINEA PIG)	BDBM50006707 (8-[(E)-2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dip...) Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H23ClN4O2/c1-4-12-24-18-17(19(26)25(13-5-2)20(24)27)23(3)16(22-18)11-8-14-6-9-15(21)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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