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BDBM311218 (S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4-dimethylpentan-2-amine::US10155760, Example 74

SMILES: CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12

InChI Key: InChIKey=QZNNODQLLRSCHN-VWLOTQADSA-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 = 311218   
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)
BDBM311218
PNG
((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.0700n/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