BDBM50297941 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid::3-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)-1-benzothien-2-yl]benzoic acid::CHEMBL558143

SMILES: CC(C)c1onc(c1COc1ccc2cc(sc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=WPHVYHBQJIXGIJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50297941   

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))	BDBM50297941 (3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)iso...) Show SMILES CC(C)c1onc(c1COc1ccc2cc(sc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.13,-6.36,;20.5,-7.85,;19.39,-8.93,;21.98,-8.27,;23.22,-7.36,;24.47,-8.26,;24,-9.73,;22.46,-9.74,;21.7,-11.07,;20.16,-11.08,;19.4,-12.42,;20.18,-13.74,;19.42,-15.08,;17.87,-15.09,;16.84,-16.24,;15.44,-15.61,;15.59,-14.08,;17.1,-13.76,;17.85,-12.43,;14.1,-16.39,;14.11,-17.92,;12.78,-18.69,;11.44,-17.93,;11.44,-16.39,;12.77,-15.61,;10.1,-15.61,;8.77,-16.39,;10.1,-14.07,;24.8,-11.04,;26.34,-11,;27.07,-9.64,;27.14,-12.31,;26.4,-13.67,;24.86,-13.71,;24.06,-12.39,;22.52,-12.43,)| Show InChI InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)7-4-8-22(25)30)14-34-19-10-9-17-12-23(36-24(17)13-19)16-5-3-6-18(11-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells				Bioorg Med Chem Lett 19: 4733-9 (2009) Article DOI: 10.1016/j.bmcl.2009.06.062 BindingDB Entry DOI: 10.7270/Q26H4HF6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (Homo sapiens (Human))	BDBM50297941 (3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)iso...) Show SMILES CC(C)c1onc(c1COc1ccc2cc(sc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.13,-6.36,;20.5,-7.85,;19.39,-8.93,;21.98,-8.27,;23.22,-7.36,;24.47,-8.26,;24,-9.73,;22.46,-9.74,;21.7,-11.07,;20.16,-11.08,;19.4,-12.42,;20.18,-13.74,;19.42,-15.08,;17.87,-15.09,;16.84,-16.24,;15.44,-15.61,;15.59,-14.08,;17.1,-13.76,;17.85,-12.43,;14.1,-16.39,;14.11,-17.92,;12.78,-18.69,;11.44,-17.93,;11.44,-16.39,;12.77,-15.61,;10.1,-15.61,;8.77,-16.39,;10.1,-14.07,;24.8,-11.04,;26.34,-11,;27.07,-9.64,;27.14,-12.31,;26.4,-13.67,;24.86,-13.71,;24.06,-12.39,;22.52,-12.43,)| Show InChI InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)7-4-8-22(25)30)14-34-19-10-9-17-12-23(36-24(17)13-19)16-5-3-6-18(11-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay				Bioorg Med Chem Lett 19: 4733-9 (2009) Article DOI: 10.1016/j.bmcl.2009.06.062 BindingDB Entry DOI: 10.7270/Q26H4HF6
					More data for this Ligand-Target Pair				3D Structure (crystal)