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BDBM335567 2-(3-(3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino)phenyl)-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-ol::US9737542, Example 10

SMILES: CC(C)(CO)c1nc(no1)-c1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1

InChI Key: InChIKey=RVYDQFWWOIAFBG-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 = 335567   
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))
BDBM335567
PNG
(2-(3-(3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo...)
Show SMILES CC(C)(CO)c1nc(no1)-c1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1
Show InChI InChI=1S/C24H30N8O2/c1-24(2,14-33)23-29-21(30-34-23)16-4-3-5-19(12-16)28-22-20-17(6-11-32(20)27-15-26-22)13-31-9-7-18(25)8-10-31/h3-6,11-12,15,18,33H,7-10,13-14,25H2,1-2H3,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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