BDBM50192829 CHEMBL3958704::US10188627, Compound 8a

SMILES: CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1

InChI Key: InChIKey=WZFMWAHUFRLQRH-XDJHFCHBSA-N

Data: 1 Kd  15 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 16 hits for monomerid = 50192829   

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 delta (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Transactivation of human Gal4-PPARdelta LBD transfected in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay				ACS Med Chem Lett 7: 824-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00301 BindingDB Entry DOI: 10.7270/Q2WH2RZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Transactivation of GAL4-fused human PPARgamma LBD expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay				Citation and Details Article DOI: 10.1016/j.bmcl.2017.11.006 BindingDB Entry DOI: 10.7270/Q25B0531
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	n/a	5.06	n/a	n/a	n/a	n/a
Mitobridge, Inc.; Salk Institute for Biological Studies US Patent					Assay Description Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...				US Patent US10188627 (2019) BindingDB Entry DOI: 10.7270/Q2HX1FR6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
Mitobridge, Inc.; Salk Institute for Biological Studies US Patent					Assay Description Cell Handling: PathHunter NHR cell lines were expanded from freezer stocks according to standard procedures. Cells were seeded in a total volume of 2...				US Patent US10188627 (2019) BindingDB Entry DOI: 10.7270/Q2HX1FR6
					More data for this Ligand-Target Pair				3D Structure (crystal)
PPAR delta protein (Rattus norvegicus (Rat))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	n/a	5.06	n/a	n/a	n/a	n/a
Mitobridge, Inc.; Salk Institute for Biological Studies US Patent					Assay Description Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...				US Patent US10188627 (2019) BindingDB Entry DOI: 10.7270/Q2HX1FR6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Transactivation of yeast GAL4 DNA binding domain-fused PPARgamma LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gen...				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged PPARdelta (unknown origin) by SPR assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Transactivation of yeast GAL4 DNA binding domain-fused PPARalpha LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gen...				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARgamma LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Transactivation of yeast GAL4 DNA binding domain-fused PPARdelta LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gen...				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Mitobridge, Inc. Curated by ChEMBL					Assay Description Activation of human PPARalpha LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay				Bioorg Med Chem Lett 27: 5230-5234 (2017) Article DOI: 10.1016/j.bmcl.2017.10.037 BindingDB Entry DOI: 10.7270/Q21V5HJT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Mus musculus)	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a
TBA					Assay Description Transactivation of mouse PPARdelta by cell-based luciferase reporter gene assay				Citation and Details Article DOI: 10.1016/j.bmcl.2017.11.006 BindingDB Entry DOI: 10.7270/Q25B0531
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
TBA					Assay Description Transactivation of GAL4-fused human PPARdelta LBD expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay				Citation and Details Article DOI: 10.1016/j.bmcl.2017.11.006 BindingDB Entry DOI: 10.7270/Q25B0531
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article	n/a	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Transactivation of GAL4-fused human PPARalpha LBD expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay				Citation and Details Article DOI: 10.1016/j.bmcl.2017.11.006 BindingDB Entry DOI: 10.7270/Q25B0531
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50192829 (CHEMBL3958704 | US10188627, Compound 8a) Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Transactivation of ProLink tagged human PPARdelta transfected in CHO-K1 cells assessed as interaction with EA labelled SRCP after 3 to 16 hrs by beta...				ACS Med Chem Lett 7: 824-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00301 BindingDB Entry DOI: 10.7270/Q2WH2RZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)