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BDBM50258484 3-(2-chloro-4-((3-((4-chloro-2,6-dimethylphenoxy)methyl)-5-isopropylisoxazol-4-yl)methoxy)styryl)benzoic acid::CHEMBL466232

SMILES: CC(C)c1onc(COc2c(C)cc(Cl)cc2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1

InChI Key: InChIKey=QCSZIGKHCCXOKT-CMDGGOBGSA-N

Data: 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 2 hits for monomerid = 50258484   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))
BDBM50258484
PNG
(3-(2-chloro-4-((3-((4-chloro-2,6-dimethylphenoxy)m...)
Show SMILES CC(C)c1onc(COc2c(C)cc(Cl)cc2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C31H29Cl2NO5/c1-18(2)29-26(28(34-39-29)17-38-30-19(3)12-24(32)13-20(30)4)16-37-25-11-10-22(27(33)15-25)9-8-21-6-5-7-23(14-21)31(35)36/h5-15,18H,16-17H2,1-4H3,(H,35,36)/b9-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 110n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR transfected in african green monkey CV1 cells by luciferase reporter gene transient transfection assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258484
PNG
(3-(2-chloro-4-((3-((4-chloro-2,6-dimethylphenoxy)m...)
Show SMILES CC(C)c1onc(COc2c(C)cc(Cl)cc2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C31H29Cl2NO5/c1-18(2)29-26(28(34-39-29)17-38-30-19(3)12-24(32)13-20(30)4)16-37-25-11-10-22(27(33)15-25)9-8-21-6-5-7-23(14-21)31(35)36/h5-15,18H,16-17H2,1-4H3,(H,35,36)/b9-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 130n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair