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BDBM311332 (S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-fluorophenyl)pyridin-2-yl)acetamide::US10155760, Example 189

SMILES: CC(C)C[C@@](C)(COc1ncc(cc1Cl)-c1ccnc2cc(F)cc(F)c12)NC(=O)OC(C)(C)C

InChI Key: InChIKey=HGTSJSXAKIWAET-SANMLTNESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 311332   
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)
BDBM311332
PNG
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-fluoro...)
Show SMILES CC(C)C[C@@](C)(COc1ncc(cc1Cl)-c1ccnc2cc(F)cc(F)c12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C26H30ClF2N3O3/c1-15(2)12-26(6,32-24(33)35-25(3,4)5)14-34-23-19(27)9-16(13-31-23)18-7-8-30-21-11-17(28)10-20(29)22(18)21/h7-11,13,15H,12,14H2,1-6H3,(H,32,33)/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.490n/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