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BDBM50535379 CHEMBL4445722

SMILES: CC(C)c1onc(c1COc1ccc(cc1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=KKSDGBPWVCMNGH-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50535379   
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))		BDBM50535379
PNG
(CHEMBL4445722)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(28.6,-47.07,;27.07,-46.92,;26.44,-45.51,;26.17,-48.17,;24.63,-48.17,;24.16,-49.64,;25.42,-50.54,;26.65,-49.63,;28.12,-50.1,;29.26,-49.06,;30.72,-49.53,;31.05,-51.03,;32.51,-51.5,;33.65,-50.46,;33.32,-48.95,;31.85,-48.49,;35.12,-50.93,;35.44,-52.43,;36.91,-52.9,;38.05,-51.86,;37.71,-50.35,;36.24,-49.89,;38.84,-49.3,;40.31,-49.76,;38.51,-47.8,;25.42,-52.08,;26.76,-52.84,;28.09,-52.07,;26.76,-54.39,;25.43,-55.17,;24.09,-54.4,;24.09,-52.85,;22.76,-52.08,)|
Show InChI InChI=1S/C26H21Cl2NO4/c1-15(2)25-20(24(29-33-25)23-21(27)7-4-8-22(23)28)14-32-19-11-9-16(10-12-19)17-5-3-6-18(13-17)26(30)31/h3-13,15H,14H2,1-2H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.40E+3n/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