BDBM50028451 CHEMBL3335625

SMILES: OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3OCOc3c2)c1

InChI Key: InChIKey=JYGNHKASLKGALM-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 = 50028451   

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))	BDBM50028451 (CHEMBL3335625) Show SMILES OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C22H16N2O6/c25-20(13-8-9-18-19(11-13)30-12-29-18)24-17-7-2-1-6-16(17)21(26)23-15-5-3-4-14(10-15)22(27)28/h1-11H,12H2,(H,23,26)(H,24,25)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	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))	BDBM50028451 (CHEMBL3335625) Show SMILES OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C22H16N2O6/c25-20(13-8-9-18-19(11-13)30-12-29-18)24-17-7-2-1-6-16(17)21(26)23-15-5-3-4-14(10-15)22(27)28/h1-11H,12H2,(H,23,26)(H,24,25)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	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))	BDBM50028451 (CHEMBL3335625) Show SMILES OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C22H16N2O6/c25-20(13-8-9-18-19(11-13)30-12-29-18)24-17-7-2-1-6-16(17)21(26)23-15-5-3-4-14(10-15)22(27)28/h1-11H,12H2,(H,23,26)(H,24,25)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+4	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))	BDBM50028451 (CHEMBL3335625) Show SMILES OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C22H16N2O6/c25-20(13-8-9-18-19(11-13)30-12-29-18)24-17-7-2-1-6-16(17)21(26)23-15-5-3-4-14(10-15)22(27)28/h1-11H,12H2,(H,23,26)(H,24,25)(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90E+4	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