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BDBM335604 5-((4-aminopiperidin-1-yl)methyl)-N-(3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine::US9737542, Example 47

SMILES: NC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)-c4noc(n4)C4CC4)c23)CC1

InChI Key: InChIKey=LSTMXQGNIXXERJ-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 = 335604   
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))
BDBM335604
PNG
(5-((4-aminopiperidin-1-yl)methyl)-N-(3-(5-cyclopro...)
Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)-c4noc(n4)C4CC4)c23)CC1
Show InChI InChI=1S/C23H26N8O/c24-18-7-9-30(10-8-18)13-17-6-11-31-20(17)22(25-14-26-31)27-19-3-1-2-16(12-19)21-28-23(32-29-21)15-4-5-15/h1-3,6,11-12,14-15,18H,4-5,7-10,13,24H2,(H,25,26,27)
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