BDBM50028469 CHEMBL3335661

SMILES: COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1C(O)=O

InChI Key: InChIKey=YWGAXYKSJZMNOV-UHFFFAOYSA-N

Data: 4 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 = 50028469   

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
Bile acid receptor (Homo sapiens (Human))	BDBM50028469 (CHEMBL3335661) Show SMILES COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1C(O)=O Show InChI InChI=1S/C26H26N2O5/c1-26(2,3)17-11-9-16(10-12-17)23(29)28-21-8-6-5-7-19(21)24(30)27-18-13-14-22(33-4)20(15-18)25(31)32/h5-15H,1-4H3,(H,27,30)(H,28,29)(H,31,32)	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	47	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human FXR expressed in human HeLa cells assessed as receptor activation by BSEP promoter-driven firefly luciferase reporter gene ...				J Med Chem 57: 8035-55 (2014) Article DOI: 10.1021/jm500937v BindingDB Entry DOI: 10.7270/Q26H4K06
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50028469 (CHEMBL3335661) Show SMILES COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1C(O)=O Show InChI InChI=1S/C26H26N2O5/c1-26(2,3)17-11-9-16(10-12-17)23(29)28-21-8-6-5-7-19(21)24(30)27-18-13-14-22(33-4)20(15-18)25(31)32/h5-15H,1-4H3,(H,27,30)(H,28,29)(H,31,32)	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	4.40E+3	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Transactivation of Gal4-tagged PPARgamma ligand binding domain (unknown origin) expressed in COS7 cells measured after overnight incubation by lucife...				Bioorg Med Chem 23: 499-514 (2015) Article DOI: 10.1016/j.bmc.2014.12.013 BindingDB Entry DOI: 10.7270/Q2MW2JW6
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50028469 (CHEMBL3335661) Show SMILES COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1C(O)=O Show InChI InChI=1S/C26H26N2O5/c1-26(2,3)17-11-9-16(10-12-17)23(29)28-21-8-6-5-7-19(21)24(30)27-18-13-14-22(33-4)20(15-18)25(31)32/h5-15H,1-4H3,(H,27,30)(H,28,29)(H,31,32)	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	740	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Transactivation of Gal4-tagged PPARalpha ligand binding domain (unknown origin) expressed in COS7 cells measured after overnight incubation by lucife...				Bioorg Med Chem 23: 499-514 (2015) Article DOI: 10.1016/j.bmc.2014.12.013 BindingDB Entry DOI: 10.7270/Q2MW2JW6
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50028469 (CHEMBL3335661) Show SMILES COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1C(O)=O Show InChI InChI=1S/C26H26N2O5/c1-26(2,3)17-11-9-16(10-12-17)23(29)28-21-8-6-5-7-19(21)24(30)27-18-13-14-22(33-4)20(15-18)25(31)32/h5-15H,1-4H3,(H,27,30)(H,28,29)(H,31,32)	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	47	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Transactivation of human FXR expressed in human HeLa cells incubated for 24 hrs by luciferase reporter gene assay				Bioorg Med Chem 23: 499-514 (2015) Article DOI: 10.1016/j.bmc.2014.12.013 BindingDB Entry DOI: 10.7270/Q2MW2JW6
					More data for this Ligand-Target Pair