BDBM50317912 3-[4-[(2,5-Difluorophenoxy)methyl]-2-({[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]-propanoic acid::CHEMBL1094161

SMILES: CC(C)C[C@@H](NC(=O)c1cc(COc2cc(F)ccc2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1

InChI Key: InChIKey=WJWSOMYLMUTCOD-HHHXNRCGSA-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 = 50317912   

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))	BDBM50317912 (3-[4-[(2,5-Difluorophenoxy)methyl]-2-({[(1R)-1-(3,...) Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2cc(F)ccc2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C30H33F2NO4/c1-18(2)11-27(23-13-19(3)12-20(4)14-23)33-30(36)25-15-21(5-6-22(25)7-10-29(34)35)17-37-28-16-24(31)8-9-26(28)32/h5-6,8-9,12-16,18,27H,7,10-11,17H2,1-4H3,(H,33,36)(H,34,35)/t27-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0680	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 EP3alpha receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 18: 3212-23 (2010) Article DOI: 10.1016/j.bmc.2010.03.028 BindingDB Entry DOI: 10.7270/Q2SF2WB7
					More data for this Ligand-Target Pair
Prostanoid EP4 Receptor (Mus musculus (Mouse))	BDBM50317912 (3-[4-[(2,5-Difluorophenoxy)methyl]-2-({[(1R)-1-(3,...) Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2cc(F)ccc2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C30H33F2NO4/c1-18(2)11-27(23-13-19(3)12-20(4)14-23)33-30(36)25-15-21(5-6-22(25)7-10-29(34)35)17-37-28-16-24(31)8-9-26(28)32/h5-6,8-9,12-16,18,27H,7,10-11,17H2,1-4H3,(H,33,36)(H,34,35)/t27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	230	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 cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 18: 3212-23 (2010) Article DOI: 10.1016/j.bmc.2010.03.028 BindingDB Entry DOI: 10.7270/Q2SF2WB7
					More data for this Ligand-Target Pair
Prostanoid EP2 Receptor (Mus musculus (Mouse))	BDBM50317912 (3-[4-[(2,5-Difluorophenoxy)methyl]-2-({[(1R)-1-(3,...) Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2cc(F)ccc2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C30H33F2NO4/c1-18(2)11-27(23-13-19(3)12-20(4)14-23)33-30(36)25-15-21(5-6-22(25)7-10-29(34)35)17-37-28-16-24(31)8-9-26(28)32/h5-6,8-9,12-16,18,27H,7,10-11,17H2,1-4H3,(H,33,36)(H,34,35)/t27-/m1/s1	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 cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 18: 3212-23 (2010) Article DOI: 10.1016/j.bmc.2010.03.028 BindingDB Entry DOI: 10.7270/Q2SF2WB7
					More data for this Ligand-Target Pair
Prostanoid EP1 Receptor (Mus musculus (Mouse))	BDBM50317912 (3-[4-[(2,5-Difluorophenoxy)methyl]-2-({[(1R)-1-(3,...) Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2cc(F)ccc2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C30H33F2NO4/c1-18(2)11-27(23-13-19(3)12-20(4)14-23)33-30(36)25-15-21(5-6-22(25)7-10-29(34)35)17-37-28-16-24(31)8-9-26(28)32/h5-6,8-9,12-16,18,27H,7,10-11,17H2,1-4H3,(H,33,36)(H,34,35)/t27-/m1/s1	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 cells after 20 mins by liquid scintillation counting				Bioorg Med Chem 18: 3212-23 (2010) Article DOI: 10.1016/j.bmc.2010.03.028 BindingDB Entry DOI: 10.7270/Q2SF2WB7
					More data for this Ligand-Target Pair
Prostanoid EP3 Receptor (Mus musculus (Mouse))	BDBM50317912 (3-[4-[(2,5-Difluorophenoxy)methyl]-2-({[(1R)-1-(3,...) Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2cc(F)ccc2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C30H33F2NO4/c1-18(2)11-27(23-13-19(3)12-20(4)14-23)33-30(36)25-15-21(5-6-22(25)7-10-29(34)35)17-37-28-16-24(31)8-9-26(28)32/h5-6,8-9,12-16,18,27H,7,10-11,17H2,1-4H3,(H,33,36)(H,34,35)/t27-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Antagonist activity at mouse EP3alpha receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium level ...				Bioorg Med Chem 18: 3212-23 (2010) Article DOI: 10.1016/j.bmc.2010.03.028 BindingDB Entry DOI: 10.7270/Q2SF2WB7
					More data for this Ligand-Target Pair