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BDBM311157 (S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-(trifluoromethyl)phenyl)pyridin-2-yl)acetamide::US10155760, Example 5

SMILES: CC(C)C[C@H](N)COc1ccc(cc1C(F)(F)F)-c1ccnc(NC(C)=O)c1

InChI Key: InChIKey=LAHYYLXFCBPDDW-INIZCTEOSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 311157   
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
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311157
PNG
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-(trifl...)
Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C(F)(F)F)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C20H24F3N3O2/c1-12(2)8-16(24)11-28-18-5-4-14(9-17(18)20(21,22)23)15-6-7-25-19(10-15)26-13(3)27/h4-7,9-10,12,16H,8,11,24H2,1-3H3,(H,25,26,27)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10155760 (2018)

More data for this
Ligand-Target Pair