BDBM50041591 1,3-Dimethyl-6-phenyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione::1,3-dimethyl-6-phenyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL38528

SMILES: Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccccc1

InChI Key: InChIKey=HBWLTYRKABSIQR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50041591   

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 A1 (Rattus norvegicus (rat))	BDBM50041591 (1,3-Dimethyl-6-phenyl-1,5-dihydro-pyrrolo[3,2-d]py...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C14H13N3O2/c1-16-11-8-10(9-6-4-3-5-7-9)15-12(11)13(18)17(2)14(16)19/h3-8,15H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universität Tübingen Curated by ChEMBL					Assay Description Binding affinity to A1 adenosine receptor from rat cortical membrane in presence of [3H]-R-(phenylisopropyl)-adenosine				J Med Chem 37: 1526-34 (1994) BindingDB Entry DOI: 10.7270/Q28P5ZJN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50041591 (1,3-Dimethyl-6-phenyl-1,5-dihydro-pyrrolo[3,2-d]py...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C14H13N3O2/c1-16-11-8-10(9-6-4-3-5-7-9)15-12(11)13(18)17(2)14(16)19/h3-8,15H,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 9780-9 (2008) Article DOI: 10.1016/j.bmc.2008.09.067 BindingDB Entry DOI: 10.7270/Q21Z448B
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50041591 (1,3-Dimethyl-6-phenyl-1,5-dihydro-pyrrolo[3,2-d]py...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C14H13N3O2/c1-16-11-8-10(9-6-4-3-5-7-9)15-12(11)13(18)17(2)14(16)19/h3-8,15H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	479	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human cloned adenosine A2A receptor expressed in human HeLa cells				Bioorg Med Chem 16: 9780-9 (2008) Article DOI: 10.1016/j.bmc.2008.09.067 BindingDB Entry DOI: 10.7270/Q21Z448B
					More data for this Ligand-Target Pair