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BDBM311363 (S)-methyl (6-((2-amino-2,4-dimethylpentyl)oxy)-5-(trifluoromethyl)-[3,4′-bipyridin]-2′-yl)carbamate::US10155760, Example 220

SMILES: COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)(F)F

InChI Key: InChIKey=MDDAGLPAMLLDGM-IBGZPJMESA-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 = 311363   
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)
BDBM311363
PNG
((S)-methyl (6-((2-amino-2,4-dimethylpentyl)oxy)-5-...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O3/c1-12(2)9-19(3,24)11-30-17-15(20(21,22)23)7-14(10-26-17)13-5-6-25-16(8-13)27-18(28)29-4/h5-8,10,12H,9,11,24H2,1-4H3,(H,25,27,28)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.380n/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