BDBM50061932 8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-methyl-1,7-di-prop-2-ynyl-3,7-dihydro-purine-2,6-dione::CHEMBL343395

SMILES: Cn1c2nc(\C=C\c3cccc(Cl)c3)n(CC#C)c2c(=O)n(CC#C)c1=O

InChI Key: InChIKey=MUICHXSTXRYQBR-MDZDMXLPSA-N

Data: 2 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 2 hits for monomerid = 50061932   

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))	BDBM50061932 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-methyl-1,7-di-...) Show SMILES Cn1c2nc(\C=C\c3cccc(Cl)c3)n(CC#C)c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C20H15ClN4O2/c1-4-11-24-16(10-9-14-7-6-8-15(21)13-14)22-18-17(24)19(26)25(12-5-2)20(27)23(18)3/h1-2,6-10,13H,11-12H2,3H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50061932 (8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-methyl-1,7-di-...) Show SMILES Cn1c2nc(\C=C\c3cccc(Cl)c3)n(CC#C)c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C20H15ClN4O2/c1-4-11-24-16(10-9-14-7-6-8-15(21)13-14)22-18-17(24)19(26)25(12-5-2)20(27)23(18)3/h1-2,6-10,13H,11-12H2,3H3/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.				J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3
					More data for this Ligand-Target Pair