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BDBM335578 5-((4-aminopiperidin-1-yl)methyl)-N-(3-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine::US9737542, Example 21

SMILES: CCCc1nnc(s1)-c1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1

InChI Key: InChIKey=SUWBETHMVLZYJI-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 = 335578   
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))
BDBM335578
PNG
(5-((4-aminopiperidin-1-yl)methyl)-N-(3-(5-propyl-1...)
Show SMILES CCCc1nnc(s1)-c1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1
Show InChI InChI=1S/C23H28N8S/c1-2-4-20-28-29-23(32-20)16-5-3-6-19(13-16)27-22-21-17(7-12-31(21)26-15-25-22)14-30-10-8-18(24)9-11-30/h3,5-7,12-13,15,18H,2,4,8-11,14,24H2,1H3,(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