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SMILES: COCNc1cc(c(F)cn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N

InChI Key: InChIKey=USXGJJRZNDNOLG-NRFANRHFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 373626   
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 (Human))		BDBM373626
PNG
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COCNc1cc(c(F)cn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r|
Show InChI InChI=1S/C21H27FN4O2/c1-14(2)9-21(3,24)12-28-19-6-5-15(7-16(19)10-23)17-8-20(26-13-27-4)25-11-18(17)22/h5-8,11,14H,9,12-13,24H2,1-4H3,(H,25,26)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.620n/an/an/an/an/an/a



University of Mississippi



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...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2930WGG
More data for this
Ligand-Target Pair