BDBM50307404 3-[2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino}-carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid::CHEMBL596956

SMILES: CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1

InChI Key: InChIKey=ALKDPZDQOKEMAM-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 50307404   

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))	BDBM50307404 (3-[2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...) Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C30H35NO4/c1-20(2)14-28(25-16-21(3)15-22(4)17-25)31-30(34)27-18-23(10-11-24(27)12-13-29(32)33)19-35-26-8-6-5-7-9-26/h5-11,15-18,20,28H,12-14,19H2,1-4H3,(H,31,34)(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.190	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 EP4 Receptor (Mus musculus (Mouse))	BDBM50307404 (3-[2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...) Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C30H35NO4/c1-20(2)14-28(25-16-21(3)15-22(4)17-25)31-30(34)27-18-23(10-11-24(27)12-13-29(32)33)19-35-26-8-6-5-7-9-26/h5-11,15-18,20,28H,12-14,19H2,1-4H3,(H,31,34)(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	780	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 EP4 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 EP1 Receptor (Mus musculus (Mouse))	BDBM50307404 (3-[2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...) Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C30H35NO4/c1-20(2)14-28(25-16-21(3)15-22(4)17-25)31-30(34)27-18-23(10-11-24(27)12-13-29(32)33)19-35-26-8-6-5-7-9-26/h5-11,15-18,20,28H,12-14,19H2,1-4H3,(H,31,34)(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	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 EP1 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 EP2 Receptor (Mus musculus (Mouse))	BDBM50307404 (3-[2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...) Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C30H35NO4/c1-20(2)14-28(25-16-21(3)15-22(4)17-25)31-30(34)27-18-23(10-11-24(27)12-13-29(32)33)19-35-26-8-6-5-7-9-26/h5-11,15-18,20,28H,12-14,19H2,1-4H3,(H,31,34)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	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 EP2 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))	BDBM50307404 (3-[2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...) Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C30H35NO4/c1-20(2)14-28(25-16-21(3)15-22(4)17-25)31-30(34)27-18-23(10-11-24(27)12-13-29(32)33)19-35-26-8-6-5-7-9-26/h5-11,15-18,20,28H,12-14,19H2,1-4H3,(H,31,34)(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	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