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SMILES: CC(C)[C@H]1CN(CCN1C(=O)C1CC[C@@](C)(O)CC1)c1cccc(c1)S(C)(=O)=O

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 304616   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304616
PNG
((S)-2-isopropyl-4-(3-(methylsulfonyl)phenyl)-1-(((...)
Show SMILES CC(C)[C@H]1CN(CCN1C(=O)C1CC[C@@](C)(O)CC1)c1cccc(c1)S(C)(=O)=O |r,wU:14.16,wD:3.2,14.15,(-5.5,4.22,;-3.96,4.22,;-3.19,2.89,;-3.19,5.56,;-1.65,5.56,;-.88,6.89,;-1.65,8.22,;-3.19,8.22,;-3.96,6.89,;-5.5,6.89,;-6.27,5.56,;-6.27,8.22,;-7.81,8.22,;-8.58,9.56,;-7.81,10.89,;-8.58,12.22,;-7.04,12.22,;-6.27,10.89,;-5.5,9.56,;.66,6.89,;1.43,5.56,;2.97,5.56,;3.74,6.89,;2.97,8.22,;1.43,8.22,;3.74,9.56,;2.97,10.89,;5.07,10.33,;5.07,8.79,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
2n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
More data for this
Ligand-Target Pair