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SMILES: OC(=O)CCCNC(=O)c1ccccc1NC(=O)\C=C\c1ccccc1

InChI Key: InChIKey=MVBCYGBRMMUZFI-OUKQBFOZSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011817   
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))		BDBM50011817
PNG
(CHEMBL3263240)
Show SMILES OC(=O)CCCNC(=O)c1ccccc1NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C20H20N2O4/c23-18(13-12-15-7-2-1-3-8-15)22-17-10-5-4-9-16(17)20(26)21-14-6-11-19(24)25/h1-5,7-10,12-13H,6,11,14H2,(H,21,26)(H,22,23)(H,24,25)/b13-12+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 720n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human FXR expressed in human HeLa cells assessed as transactivation after 24 hrs by luciferase reporter gene assay

Bioorg Med Chem 22: 2447-60 (2014)


Article DOI: 10.1016/j.bmc.2014.02.053
BindingDB Entry DOI: 10.7270/Q2Z89DZ0
More data for this
Ligand-Target Pair