BDBM50186992 6-(4-(4-(2,4-difluorobenzyl)piperazin-1-ylsulfonyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL210088

SMILES: Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2F)CC1

InChI Key: InChIKey=JIWPLUAJEDDMGO-UHFFFAOYSA-N

Data: 2 IC50

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 = 50186992   

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))	BDBM50186992 (6-(4-(4-(2,4-difluorobenzyl)piperazin-1-ylsulfonyl...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C25H25F2N5O4S/c1-29-22-14-21(28-23(22)24(33)30(2)25(29)34)16-4-7-19(8-5-16)37(35,36)32-11-9-31(10-12-32)15-17-3-6-18(26)13-20(17)27/h3-8,13-14,28H,9-12,15H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 3642-5 (2006) Article DOI: 10.1016/j.bmcl.2006.04.074 BindingDB Entry DOI: 10.7270/Q28P603M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50186992 (6-(4-(4-(2,4-difluorobenzyl)piperazin-1-ylsulfonyl...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C25H25F2N5O4S/c1-29-22-14-21(28-23(22)24(33)30(2)25(29)34)16-4-7-19(8-5-16)37(35,36)32-11-9-31(10-12-32)15-17-3-6-18(26)13-20(17)27/h3-8,13-14,28H,9-12,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3642-5 (2006) Article DOI: 10.1016/j.bmcl.2006.04.074 BindingDB Entry DOI: 10.7270/Q28P603M
					More data for this Ligand-Target Pair