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BDBM311289 (S)-2,4-dimethyl-1-((6-(quinolin-4-yl)-4-(trifluoromethyl)pyridin-3-yl)oxy)pentan-2-amine::US10155760, Example 145

SMILES: CC(C)C[C@](C)(N)COc1cnc(cc1C(F)(F)F)-c1ccnc2ccccc12

InChI Key: InChIKey=XUPPARGHFZPHDP-NRFANRHFSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 311289   
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))
BDBM311289
PNG
((S)-2,4-dimethyl-1-((6-(quinolin-4-yl)-4-(trifluor...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)(F)F)-c1ccnc2ccccc12
Show InChI InChI=1S/C22H24F3N3O/c1-14(2)11-21(3,26)13-29-20-12-28-19(10-17(20)22(23,24)25)16-8-9-27-18-7-5-4-6-15(16)18/h4-10,12,14H,11,13,26H2,1-3H3/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.240n/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)


BindingDB Entry DOI: 10.7270/Q2F191S4
More data for this
Ligand-Target Pair