BDBM50258706 CHEMBL513135::[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl 4-phenylpiperazine-1-carboxylate

SMILES: Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)N2CCN(CC2)c2ccccc2)cc1

InChI Key: InChIKey=YWUJCPSADGKYGD-UHFFFAOYSA-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 = 50258706   

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 A2b (Homo sapiens (Human))	BDBM50258706 (CHEMBL513135 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C26H27N5O4/c1-28-22-16-21(27-23(22)24(32)29(2)25(28)33)19-10-8-18(9-11-19)17-35-26(34)31-14-12-30(13-15-31)20-6-4-3-5-7-20/h3-11,16,27H,12-15,17H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter				Bioorg Med Chem 17: 3618-29 (2009) Article DOI: 10.1016/j.bmc.2009.03.062 BindingDB Entry DOI: 10.7270/Q2Q81D07
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50258706 (CHEMBL513135 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C26H27N5O4/c1-28-22-16-21(27-23(22)24(32)29(2)25(28)33)19-10-8-18(9-11-19)17-35-26(34)31-14-12-30(13-15-31)20-6-4-3-5-7-20/h3-11,16,27H,12-15,17H2,1-2H3	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	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HeLa cells by beta scintillation counter				Bioorg Med Chem 17: 3618-29 (2009) Article DOI: 10.1016/j.bmc.2009.03.062 BindingDB Entry DOI: 10.7270/Q2Q81D07
					More data for this Ligand-Target Pair