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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'FMR1 autosomal homolog 1' and Ligand = 'BDBM504304'   
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
FMR1 autosomal homolog 1


(Dog)
BDBM504304
PNG
(3α,7α,11β-rihydroxy-6α-ethyl-5...)
Show SMILES CC[C@H]1[C@@H](O)C2C3CC[C@H]([C@H](C)CCCOS(=O)(=O)O[Na])[C@@]3(C)C[C@H](O)C2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C26H46O7S.Na/c1-5-17-20-13-16(27)10-11-25(20,3)23-21(28)14-26(4)18(8-9-19(26)22(23)24(17)29)15(2)7-6-12-33-34(30,31)32;/h15-24,27-29H,5-14H2,1-4H3,(H,30,31,32);/q;+1/p-1/t15-,16-,17-,18-,19?,20+,21+,22?,23?,24-,25+,26-;/m1./s1
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 730n/an/an/an/a



Intercept Pharmaceuticals, Inc.

US Patent


Assay Description
AlphaScreen was used with the aim of identifying novel modulators by taking advantage of the bimolecular interaction prevailing between FXR and the L...


US Patent US11034717 (2021)

More data for this
Ligand-Target Pair