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BDBM340853 (E)-3-(4-chloro-2-((5-methyl-2H-tetrazol-2-yl)methyl)phenyl)-1-((2S, 4R or 4S)-4-hydroxy-2-methylpiperidin-1-yl)prop-2-en-1-one::US9763957, Example 50a

SMILES: C[C@H]1C[C@H](O)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1

InChI Key: InChIKey=HXVXCQKTTSYSOB-FUPJYCKTSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 340853   
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
Ataxin-1


(Homo sapiens (Human))
BDBM340853
PNG
((E)-3-(4-chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES C[C@H]1C[C@H](O)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C18H22ClN5O2/c1-12-9-17(25)7-8-23(12)18(26)6-4-14-3-5-16(19)10-15(14)11-24-21-13(2)20-22-24/h3-6,10,12,17,25H,7-9,11H2,1-2H3/b6-4+/t12-,17+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair