BDBM50317898 3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-{[(6-methylpyridin-3-yl)oxy]methyl}-phenyl)propanoic acid::CHEMBL1094789

SMILES: CC(C)C[C@@H](NC(=O)c1cc(COc2ccc(C)nc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1

InChI Key: InChIKey=TYLXQEQRZMFKDE-MUUNZHRXSA-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 = 50317898   

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))	BDBM50317898 (3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]...) Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2ccc(C)nc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C30H36N2O4/c1-19(2)12-28(25-14-20(3)13-21(4)15-25)32-30(35)27-16-23(7-8-24(27)9-11-29(33)34)18-36-26-10-6-22(5)31-17-26/h6-8,10,13-17,19,28H,9,11-12,18H2,1-5H3,(H,32,35)(H,33,34)/t28-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	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))	BDBM50317898 (3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]...) Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2ccc(C)nc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C30H36N2O4/c1-19(2)12-28(25-14-20(3)13-21(4)15-25)32-30(35)27-16-23(7-8-24(27)9-11-29(33)34)18-36-26-10-6-22(5)31-17-26/h6-8,10,13-17,19,28H,9,11-12,18H2,1-5H3,(H,32,35)(H,33,34)/t28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	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))	BDBM50317898 (3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]...) Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2ccc(C)nc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C30H36N2O4/c1-19(2)12-28(25-14-20(3)13-21(4)15-25)32-30(35)27-16-23(7-8-24(27)9-11-29(33)34)18-36-26-10-6-22(5)31-17-26/h6-8,10,13-17,19,28H,9,11-12,18H2,1-5H3,(H,32,35)(H,33,34)/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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))	BDBM50317898 (3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]...) Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2ccc(C)nc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C30H36N2O4/c1-19(2)12-28(25-14-20(3)13-21(4)15-25)32-30(35)27-16-23(7-8-24(27)9-11-29(33)34)18-36-26-10-6-22(5)31-17-26/h6-8,10,13-17,19,28H,9,11-12,18H2,1-5H3,(H,32,35)(H,33,34)/t28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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))	BDBM50317898 (3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]...) Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2ccc(C)nc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C30H36N2O4/c1-19(2)12-28(25-14-20(3)13-21(4)15-25)32-30(35)27-16-23(7-8-24(27)9-11-29(33)34)18-36-26-10-6-22(5)31-17-26/h6-8,10,13-17,19,28H,9,11-12,18H2,1-5H3,(H,32,35)(H,33,34)/t28-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	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