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BDBM321107 (S)-ethyl (8-((2-amino-2,4-dimethylpentyl)oxy)-6H-isochromeno[3,4-c]pyridin-2-yl)carbamate::US10174044, Example 41

SMILES: CCOC(=O)Nc1cc-2c(OCc3cc(OC[C@@](C)(N)CC(C)C)ccc-23)cn1

InChI Key: InChIKey=MWHCLYMKQNOMIN-QFIPXVFZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 321107   
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))
BDBM321107
PNG
((S)-ethyl (8-((2-amino-2,4-dimethylpentyl)oxy)-6H-...)
Show SMILES CCOC(=O)Nc1cc-2c(OCc3cc(OC[C@@](C)(N)CC(C)C)ccc-23)cn1
Show InChI InChI=1S/C22H29N3O4/c1-5-27-21(26)25-20-9-18-17-7-6-16(29-13-22(4,23)10-14(2)3)8-15(17)12-28-19(18)11-24-20/h6-9,11,14H,5,10,12-13,23H2,1-4H3,(H,24,25,26)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
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 US10174044 (2019)


BindingDB Entry DOI: 10.7270/Q2222WVN
More data for this
Ligand-Target Pair