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BDBM335609 5-((4-aminopiperidin-1-yl)methyl)-N-(2-fluoro-5-(5-isopropyl-1,2,4-oxadiazol-3-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine::US9737542, Example 52

SMILES: CC(C)(C)OC(=O)NC1CCN(Cc2ccn3ncnc(Nc4cc(ccc4F)C#N)c23)CC1

InChI Key: InChIKey=MPUXGEMGXLCMTI-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 335609   
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 (AAK1)


(Homo sapiens (Human))
BDBM335609
PNG
(5-((4-aminopiperidin-1-yl)methyl)-N-(2-fluoro-5-(5...)
Show SMILES CC(C)(C)OC(=O)NC1CCN(Cc2ccn3ncnc(Nc4cc(ccc4F)C#N)c23)CC1
Show InChI InChI=1S/C24H28FN7O2/c1-24(2,3)34-23(33)29-18-7-9-31(10-8-18)14-17-6-11-32-21(17)22(27-15-28-32)30-20-12-16(13-26)4-5-19(20)25/h4-6,11-12,15,18H,7-10,14H2,1-3H3,(H,29,33)(H,27,28,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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 US9737542 (2017)

More data for this
Ligand-Target Pair