BDBM50028448 CHEMBL3335622

SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(O)=O

InChI Key: InChIKey=WBHRHYBKOQUDSY-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 = 50028448   

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))	BDBM50028448 (CHEMBL3335622) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C25H24N2O4/c1-25(2,3)18-13-11-16(12-14-18)22(28)27-21-10-5-4-9-20(21)23(29)26-19-8-6-7-17(15-19)24(30)31/h4-15H,1-3H3,(H,26,29)(H,27,28)(H,30,31)	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	280	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
Bile acid receptor (Homo sapiens (Human))	BDBM50028448 (CHEMBL3335622) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C25H24N2O4/c1-25(2,3)18-13-11-16(12-14-18)22(28)27-21-10-5-4-9-20(21)23(29)26-19-8-6-7-17(15-19)24(30)31/h4-15H,1-3H3,(H,26,29)(H,27,28)(H,30,31)	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	280	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
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50028448 (CHEMBL3335622) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C25H24N2O4/c1-25(2,3)18-13-11-16(12-14-18)22(28)27-21-10-5-4-9-20(21)23(29)26-19-8-6-7-17(15-19)24(30)31/h4-15H,1-3H3,(H,26,29)(H,27,28)(H,30,31)	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	3.90E+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))	BDBM50028448 (CHEMBL3335622) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C25H24N2O4/c1-25(2,3)18-13-11-16(12-14-18)22(28)27-21-10-5-4-9-20(21)23(29)26-19-8-6-7-17(15-19)24(30)31/h4-15H,1-3H3,(H,26,29)(H,27,28)(H,30,31)	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	1.30E+3	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