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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM384545'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))
BDBM384545
PNG
(2-(7-((5-cyclopropyl-3-(2,6- dichlorophenyl)isoxaz...)
Show SMILES OC(=O)c1cc(F)c2nc(sc2c1)C1(O)C2COCC1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C29H25Cl2FN2O6S/c30-19-2-1-3-20(31)23(19)24-18(26(40-34-24)13-4-5-13)12-39-17-8-15-10-38-11-16(9-17)29(15,37)28-33-25-21(32)6-14(27(35)36)7-22(25)41-28/h1-3,6-7,13,15-17,37H,4-5,8-12H2,(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
The human FXRalpha LBD was expressed in E. coli strain BL21(DE3) as an N-terminally GST tagged fusion protein. The DNA encoding the FXR ligand bindin...


US Patent US9932332 (2018)


BindingDB Entry DOI: 10.7270/Q2X92DMW
More data for this
Ligand-Target Pair