BDBM50186974 CHEMBL210969::N-(1-(4-fluorobenzyl)piperidin-4-yl)-4-(1,3-diethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)benzenesulfonamide

SMILES: CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccc(F)cc2)CC1

InChI Key: InChIKey=FHNRQFQBRJWCQY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50186974   

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 A3 (Homo sapiens (Human))	BDBM50186974 (CHEMBL210969 | N-(1-(4-fluorobenzyl)piperidin-4-yl...) Show SMILES CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C28H32FN5O4S/c1-3-33-25-17-24(30-26(25)27(35)34(4-2)28(33)36)20-7-11-23(12-8-20)39(37,38)31-22-13-15-32(16-14-22)18-19-5-9-21(29)10-6-19/h5-12,17,22,30-31H,3-4,13-16,18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa 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 A2b (Homo sapiens (Human))	BDBM50186974 (CHEMBL210969 | N-(1-(4-fluorobenzyl)piperidin-4-yl...) Show SMILES CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C28H32FN5O4S/c1-3-33-25-17-24(30-26(25)27(35)34(4-2)28(33)36)20-7-11-23(12-8-20)39(37,38)31-22-13-15-32(16-14-22)18-19-5-9-21(29)10-6-19/h5-12,17,22,30-31H,3-4,13-16,18H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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))	BDBM50186974 (CHEMBL210969 | N-(1-(4-fluorobenzyl)piperidin-4-yl...) Show SMILES CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C28H32FN5O4S/c1-3-33-25-17-24(30-26(25)27(35)34(4-2)28(33)36)20-7-11-23(12-8-20)39(37,38)31-22-13-15-32(16-14-22)18-19-5-9-21(29)10-6-19/h5-12,17,22,30-31H,3-4,13-16,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	205	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