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BDBM335608 5-((4-aminopiperidin-1-yl)methyl)-N-(3-fluoro-5-(2-isopropyl-2H-tetrazol-5-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine::US9737542, Example 51

SMILES: CC(C)n1nnc(n1)-c1cc(F)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1

InChI Key: InChIKey=ZVJBCQJJQYIXFL-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 = 335608   
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))
BDBM335608
PNG
(5-((4-aminopiperidin-1-yl)methyl)-N-(3-fluoro-5-(2...)
Show SMILES CC(C)n1nnc(n1)-c1cc(F)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1
Show InChI InChI=1S/C22H27FN10/c1-14(2)33-29-21(28-30-33)16-9-17(23)11-19(10-16)27-22-20-15(3-8-32(20)26-13-25-22)12-31-6-4-18(24)5-7-31/h3,8-11,13-14,18H,4-7,12,24H2,1-2H3,(H,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/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