BDBM50307440 3-[4-[(4-Cyanophenoxy)methyl]-2-({[1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid::CHEMBL596738

SMILES: CC(C)CC(NC(=O)c1cc(COc2ccc(cc2)C#N)ccc1CCC(O)=O)c1cc(C)cc(C)c1

InChI Key: InChIKey=XWKSWMRPJUAMIZ-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 = 50307440   

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))	BDBM50307440 (3-[4-[(4-Cyanophenoxy)methyl]-2-({[1-(3,5-dimethyl...) Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccc(cc2)C#N)ccc1CCC(O)=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C31H34N2O4/c1-20(2)13-29(26-15-21(3)14-22(4)16-26)33-31(36)28-17-24(5-8-25(28)9-12-30(34)35)19-37-27-10-6-23(18-32)7-11-27/h5-8,10-11,14-17,20,29H,9,12-13,19H2,1-4H3,(H,33,36)(H,34,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	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))	BDBM50307440 (3-[4-[(4-Cyanophenoxy)methyl]-2-({[1-(3,5-dimethyl...) Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccc(cc2)C#N)ccc1CCC(O)=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C31H34N2O4/c1-20(2)13-29(26-15-21(3)14-22(4)16-26)33-31(36)28-17-24(5-8-25(28)9-12-30(34)35)19-37-27-10-6-23(18-32)7-11-27/h5-8,10-11,14-17,20,29H,9,12-13,19H2,1-4H3,(H,33,36)(H,34,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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