BDBM50307426 3-[2-({[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-methylbutyl]amino}carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid::CHEMBL603969

SMILES: CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc2OCCOc2c1

InChI Key: InChIKey=XRJORJOEXYTMGE-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50307426   

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
Prostanoid EP3 Receptor (Mus musculus (Mouse))	BDBM50307426 (3-[2-({[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-met...) Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C30H33NO6/c1-20(2)16-26(23-10-12-27-28(18-23)36-15-14-35-27)31-30(34)25-17-21(8-9-22(25)11-13-29(32)33)19-37-24-6-4-3-5-7-24/h3-10,12,17-18,20,26H,11,13-16,19H2,1-2H3,(H,31,34)(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane				Bioorg Med Chem 18: 1641-58 (2010) Article DOI: 10.1016/j.bmc.2009.12.068 BindingDB Entry DOI: 10.7270/Q29023W2
					More data for this Ligand-Target Pair
Prostanoid EP3 Receptor (Mus musculus (Mouse))	BDBM50307426 (3-[2-({[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-met...) Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C30H33NO6/c1-20(2)16-26(23-10-12-27-28(18-23)36-15-14-35-27)31-30(34)25-17-21(8-9-22(25)11-13-29(32)33)19-37-24-6-4-3-5-7-24/h3-10,12,17-18,20,26H,11,13-16,19H2,1-2H3,(H,31,34)(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Antagonist activity at mouse EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase intracellular calcium level in prese...				Bioorg Med Chem 18: 1641-58 (2010) Article DOI: 10.1016/j.bmc.2009.12.068 BindingDB Entry DOI: 10.7270/Q29023W2
					More data for this Ligand-Target Pair