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Compile Data Set for Download or QSAR

Found 1 hit of ec50 for monomerid = 50544029   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))		BDBM50544029
PNG
(CHEMBL4638244)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCN(CC1)C(C)=O)C(O)=O)-c1c(Cl)cccc1Cl |(8.01,-54.55,;8.64,-53.14,;10.17,-52.98,;7.73,-51.9,;6.19,-51.9,;5.72,-50.43,;6.96,-49.53,;8.21,-50.44,;9.68,-49.95,;10.82,-50.99,;12.29,-50.51,;13.44,-51.54,;14.89,-51.07,;15.22,-49.56,;14.06,-48.53,;12.6,-49.01,;16.69,-49.08,;17.93,-49.98,;19.17,-49.08,;20.67,-49.39,;21.7,-48.24,;21.22,-46.78,;19.72,-46.47,;18.7,-47.61,;17.16,-47.62,;16.25,-46.37,;16.87,-44.97,;15.96,-43.73,;14.44,-43.89,;13.82,-45.29,;14.72,-46.53,;13.53,-42.65,;14.15,-41.25,;12.01,-42.81,;22.24,-45.63,;23.75,-45.94,;21.76,-44.16,;6.95,-47.98,;8.29,-47.21,;9.63,-47.98,;8.29,-45.65,;6.95,-44.89,;5.62,-45.66,;5.61,-47.21,;4.28,-47.98,)|
Show InChI InChI=1S/C34H32Cl2N4O5/c1-19(2)32-25(31(38-45-32)30-26(35)5-4-6-27(30)36)18-44-24-10-7-21(8-11-24)33-37-28-12-9-22(34(42)43)17-29(28)40(33)23-13-15-39(16-14-23)20(3)41/h4-12,17,19,23H,13-16,18H2,1-3H3,(H,42,43)
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 1.43E+3n/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Agonist activity at human FXR expressed in human HuH7 cells by luciferase reporter gene assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115512
BindingDB Entry DOI: 10.7270/Q20G3PQ8
More data for this
Ligand-Target Pair