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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50028464'   
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))
BDBM50028464
PNG
(CHEMBL3335656)
Show SMILES Cc1c(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cccc1C(O)=O
Show InChI InChI=1S/C26H26N2O4/c1-16-19(25(31)32)9-7-11-21(16)27-24(30)20-8-5-6-10-22(20)28-23(29)17-12-14-18(15-13-17)26(2,3)4/h5-15H,1-4H3,(H,27,30)(H,28,29)(H,31,32)
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MMDB

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Article
PubMed
n/an/an/an/a 42n/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells incubated for 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 499-514 (2015)


Article DOI: 10.1016/j.bmc.2014.12.013
BindingDB Entry DOI: 10.7270/Q2MW2JW6
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50028464
PNG
(CHEMBL3335656)
Show SMILES Cc1c(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cccc1C(O)=O
Show InChI InChI=1S/C26H26N2O4/c1-16-19(25(31)32)9-7-11-21(16)27-24(30)20-8-5-6-10-22(20)28-23(29)17-12-14-18(15-13-17)26(2,3)4/h5-15H,1-4H3,(H,27,30)(H,28,29)(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 42n/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human FXR expressed in human HeLa cells assessed as receptor activation by BSEP promoter-driven firefly luciferase reporter gene ...


J Med Chem 57: 8035-55 (2014)


Article DOI: 10.1021/jm500937v
BindingDB Entry DOI: 10.7270/Q26H4K06
More data for this
Ligand-Target Pair