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BDBM311250 (S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-cyanophenyl)-5-fluoropyridin-2-yl)carbamate::US10155760, Example 106

SMILES: COC(=O)Nc1cc(c(F)cn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N

InChI Key: InChIKey=PBBUROCOOQIYJK-NRFANRHFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 311250   
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)
BDBM311250
PNG
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(c(F)cn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N
Show InChI InChI=1S/C21H25FN4O3/c1-13(2)9-21(3,24)12-29-18-6-5-14(7-15(18)10-23)16-8-19(25-11-17(16)22)26-20(27)28-4/h5-8,11,13H,9,12,24H2,1-4H3,(H,25,26,27)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.620n/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