BDBM50063088 CHEMBL3398442

SMILES: CCOC(=O)N1C[C@@H](Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)[C@H](C1)C(O)=O

InChI Key: InChIKey=HOZBJZOTPAZMJT-GGAORHGYSA-N

Data: 2 IC50  2 EC50

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 4 hits for monomerid = 50063088   

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 (Homo sapiens (Human))	BDBM50063088 (CHEMBL3398442) Show SMILES CCOC(=O)N1C[C@@H](Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(23(17-29)26(30)31)15-19-9-11-22(12-10-19)34-14-13-24-18(2)35-25(28-24)20-7-5-4-6-8-20/h4-12,21,23H,3,13-17H2,1-2H3,(H,30,31)/t21-,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50063088 (CHEMBL3398442) Show SMILES CCOC(=O)N1C[C@@H](Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(23(17-29)26(30)31)15-19-9-11-22(12-10-19)34-14-13-24-18(2)35-25(28-24)20-7-5-4-6-8-20/h4-12,21,23H,3,13-17H2,1-2H3,(H,30,31)/t21-,23+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50063088 (CHEMBL3398442) Show SMILES CCOC(=O)N1C[C@@H](Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(23(17-29)26(30)31)15-19-9-11-22(12-10-19)34-14-13-24-18(2)35-25(28-24)20-7-5-4-6-8-20/h4-12,21,23H,3,13-17H2,1-2H3,(H,30,31)/t21-,23+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Agonist activity at GAL4 tagged human PPARalpha ligand binding domain expressed in HEK293 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50063088 (CHEMBL3398442) Show SMILES CCOC(=O)N1C[C@@H](Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(23(17-29)26(30)31)15-19-9-11-22(12-10-19)34-14-13-24-18(2)35-25(28-24)20-7-5-4-6-8-20/h4-12,21,23H,3,13-17H2,1-2H3,(H,30,31)/t21-,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Agonist activity at GAL4 tagged human PPARgamma ligand binding domain expressed in HEK293 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair