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PDB code 3BEJ

Compile Data Set for Download or QSAR

Similar Ligands in BindingDB*

Found 1 hit Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
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 FXR

  (238/238 = 100%)
(Homo sapiens (human))
BDBM30327
PNG
(MFA-2)
Show SMILES C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C(=O)c1ccccc1 |r,c:9,t:7|
Show InChI InChI=1/C27H32O3/c1-26-14-12-18(25(29)30)16-19(26)8-9-20-21-10-11-23(27(21,2)15-13-22(20)26)24(28)17-6-4-3-5-7-17/h3-8,16,20-23H,9-15H2,1-2H3,(H,29,30)/t20?,21?,22?,23-,26+,27+/s2
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 509n/an/a7.04



Merck Research Laboratories



Assay Description
To each well of a 96-well assay plate, assay buffer was added containing purified GST-FXR, Eu-labeled anti-GST antibody (Perkin-Elmer), streptavidin-...


Proc Natl Acad Sci U S A 105: 5337-42 (2008)

More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output