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SMILES: COC(=O)Nc1nccc(n1)-c1ccc(OC[C@](C)(CC(C)C)NC(=O)OC(C)(C)C)c(c1)C(F)(F)F

InChI Key: InChIKey=PSPYAPHQKNAPFI-DEOSSOPVSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 427298   
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))		BDBM427298
PNG
((S)-methyl(4-(4-((2-amino-2,4-dimethylpentyl)oxy)-...)
Show SMILES COC(=O)Nc1nccc(n1)-c1ccc(OC[C@](C)(CC(C)C)NC(=O)OC(C)(C)C)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H33F3N4O5/c1-15(2)13-24(6,32-22(34)37-23(3,4)5)14-36-19-9-8-16(12-17(19)25(26,27)28)18-10-11-29-20(30-18)31-21(33)35-7/h8-12,15H,13-14H2,1-7H3,(H,32,34)(H,29,30,31,33)/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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 US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair