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BDBM50297952 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid::3-{[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)-1H-indol-1-yl]methyl}benzoic acid::CHEMBL562086

SMILES: CC(C)c1onc(c1COc1ccc2n(Cc3cccc(c3)C(O)=O)ccc2c1)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=FCSGTZIUJUNGAC-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 = 50297952   
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 FXR


(Homo sapiens (human))
BDBM50297952
PNG
(3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)is...)
Show SMILES CC(C)c1onc(c1COc1ccc2n(Cc3cccc(c3)C(O)=O)ccc2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl2N2O4/c1-17(2)28-22(27(32-37-28)26-23(30)7-4-8-24(26)31)16-36-21-9-10-25-19(14-21)11-12-33(25)15-18-5-3-6-20(13-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)
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Similars

MMDB
PDB
Article
PubMed
n/an/an/an/a 210n/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297952
PNG
(3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)is...)
Show SMILES CC(C)c1onc(c1COc1ccc2n(Cc3cccc(c3)C(O)=O)ccc2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl2N2O4/c1-17(2)28-22(27(32-37-28)26-23(30)7-4-8-24(26)31)16-36-21-9-10-25-19(14-21)11-12-33(25)15-18-5-3-6-20(13-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/an/an/a 320n/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)