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BDBM335600 5-((4-aminopiperidin-1-yl)methyl)-N-(2-chloro-5-(5-isopropyl-1,2,4-oxadiazol-3-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine::US9737542, Example 43

SMILES: CC(C)c1nc(no1)-c1ccc(Cl)c(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1

InChI Key: InChIKey=GDIRSUZSXRNJFU-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 = 335600   
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))
BDBM335600
PNG
(5-((4-aminopiperidin-1-yl)methyl)-N-(2-chloro-5-(5...)
Show SMILES CC(C)c1nc(no1)-c1ccc(Cl)c(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1
Show InChI InChI=1S/C23H27ClN8O/c1-14(2)23-29-21(30-33-23)15-3-4-18(24)19(11-15)28-22-20-16(5-10-32(20)27-13-26-22)12-31-8-6-17(25)7-9-31/h3-5,10-11,13-14,17H,6-9,12,25H2,1-2H3,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 265n/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