BDBM50171897 (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid::(S)-2-(4-Chloro-phenoxy)-3-phenyl-propionic acid::(S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid::CHEMBL364748

SMILES: OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1

InChI Key: InChIKey=CPBLTMSKPQDJPW-AWEZNQCLSA-N

Data: 9 EC50

PDB links: 1 PDB ID matches this monomer.

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 9 hits for monomerid = 50171897   

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
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50171897 ((2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Effective concentration against human PPARalpha expressed in HepG2 cells				J Med Chem 48: 5509-19 (2005) Article DOI: 10.1021/jm0502844 BindingDB Entry DOI: 10.7270/Q2PV6JXF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50171897 ((2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Effective concentration against human PPARgamma expressed in HepG2 cells				J Med Chem 48: 5509-19 (2005) Article DOI: 10.1021/jm0502844 BindingDB Entry DOI: 10.7270/Q2PV6JXF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM50171897 ((2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Effective concentration against murine PPARalpha in transactivation assay				J Med Chem 48: 5509-19 (2005) Article DOI: 10.1021/jm0502844 BindingDB Entry DOI: 10.7270/Q2PV6JXF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50171897 ((2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay				Bioorg Med Chem 16: 9498-510 (2008) Article DOI: 10.1016/j.bmc.2008.09.045 BindingDB Entry DOI: 10.7270/Q2CC10JC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50171897 ((2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a
Universit£ degli studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused PPARalpha (unknown origin) expressed in human HepG2 cells by transactivation assay				Eur J Med Chem 63: 321-32 (2013) Article DOI: 10.1016/j.ejmech.2013.02.015 BindingDB Entry DOI: 10.7270/Q29G5QRP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50171897 ((2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in HepG2 cells assessed as transactivation after 20 hrs by beta-galac...				Bioorg Med Chem 20: 2141-51 (2012) Article DOI: 10.1016/j.bmc.2012.01.025 BindingDB Entry DOI: 10.7270/Q2WQ0485
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50171897 ((2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in HepG2 cells assessed as transactivation after 20 hrs by beta-galac...				Bioorg Med Chem 20: 2141-51 (2012) Article DOI: 10.1016/j.bmc.2012.01.025 BindingDB Entry DOI: 10.7270/Q2WQ0485
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50171897 ((2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a
Universit£ degli studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused PPARgamma (unknown origin) expressed in human HepG2 cells by transactivation assay				Eur J Med Chem 63: 321-32 (2013) Article DOI: 10.1016/j.ejmech.2013.02.015 BindingDB Entry DOI: 10.7270/Q29G5QRP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50171897 ((2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay				Bioorg Med Chem 16: 9498-510 (2008) Article DOI: 10.1016/j.bmc.2008.09.045 BindingDB Entry DOI: 10.7270/Q2CC10JC
					More data for this Ligand-Target Pair