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BDBM243202 (2S)-1-((R)-2-(3-Fluoro-4-(5- (trifluoromethyl)-1,2,4-oxadiazol-3- yl)benzamido)propyl)-2- methylpyrrolidin-1-ium formate::US10053434, 23

SMILES: C[C@H](C[NH+]1CCC[C@@H]1C)NC(=O)c1ccc(-c2noc(n2)C(F)(F)F)c(F)c1

InChI Key: InChIKey=JXGNSCIUOHPCHU-MNOVXSKESA-O

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 243202   
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
HDAC4


(Homo sapiens (Human))
BDBM243202
PNG
((2S)-1-((R)-2-(3-Fluoro-4-(5- (trifluoromethyl)-1,...)
Show SMILES C[C@H](C[NH+]1CCC[C@@H]1C)NC(=O)c1ccc(-c2noc(n2)C(F)(F)F)c(F)c1 |r|
Show InChI InChI=1S/C18H20F4N4O2/c1-10(9-26-7-3-4-11(26)2)23-16(27)12-5-6-13(14(19)8-12)15-24-17(28-25-15)18(20,21)22/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,23,27)/p+1/t10-,11+/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)


BindingDB Entry DOI: 10.7270/Q2MG7RJZ
More data for this
Ligand-Target Pair