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BDBM50535371 CHEMBL4455911

SMILES: COC(=O)c1ccc(OCc2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C(C)C)cc2)cc1

InChI Key: InChIKey=XOZZQUWFCCNCSC-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50535371   
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))		BDBM50535371
PNG
(CHEMBL4455911)
Show SMILES COC(=O)c1ccc(OCc2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C(C)C)cc2)cc1 |(65.15,-52.07,;63.68,-51.61,;62.55,-52.65,;62.88,-54.15,;61.08,-52.18,;59.94,-53.22,;58.47,-52.76,;58.15,-51.26,;56.68,-50.79,;55.54,-51.83,;54.08,-51.36,;52.94,-52.4,;51.47,-51.93,;51.15,-50.43,;49.68,-49.96,;48.54,-51,;47.07,-50.53,;46.59,-49.07,;45.05,-49.07,;44.58,-50.54,;45.84,-51.44,;45.85,-52.98,;47.18,-53.75,;48.51,-52.97,;47.19,-55.3,;45.85,-56.07,;44.52,-55.3,;44.52,-53.75,;43.18,-52.98,;47.5,-47.82,;49.03,-47.98,;46.87,-46.42,;52.28,-49.39,;53.74,-49.85,;59.27,-50.21,;60.74,-50.67,)|
Show InChI InChI=1S/C28H25Cl2NO5/c1-17(2)27-22(26(31-36-27)25-23(29)5-4-6-24(25)30)16-35-20-11-7-18(8-12-20)15-34-21-13-9-19(10-14-21)28(32)33-3/h4-14,17H,15-16H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 730n/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Transactivation of human FXR (unknown origin) expressed in HepG2 cells co-expressing pSG5RXR/pGL4.70 after 24 hrs post transfection by luciferase rep...

ACS Med Chem Lett 10: 407-412 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00423
More data for this
Ligand-Target Pair