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BDBM50535378 CHEMBL4562865

SMILES: COC(=O)c1cccc(c1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1

InChI Key: InChIKey=RHVBKJAWIAEAHW-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50535378   
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))		BDBM50535378
PNG
(CHEMBL4562865)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(70.07,-36.96,;69.74,-35.46,;68.27,-35,;67.93,-33.5,;67.13,-36.04,;67.47,-37.55,;66.33,-38.59,;64.87,-38.13,;64.54,-36.62,;65.67,-35.58,;63.08,-36.16,;61.93,-37.19,;60.47,-36.73,;60.15,-35.22,;58.68,-34.76,;57.54,-35.79,;56.07,-35.33,;55.59,-33.86,;54.05,-33.87,;53.58,-35.33,;54.84,-36.24,;54.85,-37.78,;56.18,-38.54,;57.51,-37.77,;56.19,-40.09,;54.85,-40.86,;53.51,-40.09,;53.52,-38.55,;52.18,-37.78,;56.49,-32.61,;58.03,-32.77,;55.86,-31.21,;61.27,-34.18,;62.74,-34.65,)|
Show InChI InChI=1S/C27H23Cl2NO4/c1-16(2)26-21(25(30-34-26)24-22(28)8-5-9-23(24)29)15-33-20-12-10-17(11-13-20)18-6-4-7-19(14-18)27(31)32-3/h4-14,16H,15H2,1-3H3
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 2.80E+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