BDBM50061937 1-Prop-2-ynyl-8-((E)-styryl)-3,7-dihydro-purine-2,6-dione::CHEMBL344678

SMILES: O=c1[nH]c2nc(C=Cc3ccccc3)[nH]c2c(=O)n1CC#C

InChI Key: InChIKey=MXXBRYVSNYZVLB-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 = 50061937   

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))	BDBM50061937 (1-Prop-2-ynyl-8-((E)-styryl)-3,7-dihydro-purine-2,...) Show SMILES O=c1[nH]c2nc(C=Cc3ccccc3)[nH]c2c(=O)n1CC#C |w:7.7| Show InChI InChI=1S/C16H12N4O2/c1-2-10-20-15(21)13-14(19-16(20)22)18-12(17-13)9-8-11-6-4-3-5-7-11/h1,3-9H,10H2,(H,17,18)(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	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))	BDBM50061937 (1-Prop-2-ynyl-8-((E)-styryl)-3,7-dihydro-purine-2,...) Show SMILES O=c1[nH]c2nc(C=Cc3ccccc3)[nH]c2c(=O)n1CC#C |w:7.7| Show InChI InChI=1S/C16H12N4O2/c1-2-10-20-15(21)13-14(19-16(20)22)18-12(17-13)9-8-11-6-4-3-5-7-11/h1,3-9H,10H2,(H,17,18)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	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
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50061937 (1-Prop-2-ynyl-8-((E)-styryl)-3,7-dihydro-purine-2,...) Show SMILES O=c1[nH]c2nc(C=Cc3ccccc3)[nH]c2c(=O)n1CC#C |w:7.7| Show InChI InChI=1S/C16H12N4O2/c1-2-10-20-15(21)13-14(19-16(20)22)18-12(17-13)9-8-11-6-4-3-5-7-11/h1,3-9H,10H2,(H,17,18)(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	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]-NECA 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))	BDBM50061937 (1-Prop-2-ynyl-8-((E)-styryl)-3,7-dihydro-purine-2,...) Show SMILES O=c1[nH]c2nc(C=Cc3ccccc3)[nH]c2c(=O)n1CC#C |w:7.7| Show InChI InChI=1S/C16H12N4O2/c1-2-10-20-15(21)13-14(19-16(20)22)18-12(17-13)9-8-11-6-4-3-5-7-11/h1,3-9H,10H2,(H,17,18)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	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]-R-PIA 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