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BDBM335619 5-((4-aminopiperidin-1-yl)methyl)-N-(3-isopropoxy-5-(2-isopropyl-2H-tetrazol-5-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine::US9737542, Example 62

SMILES: CC(C)Oc1cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)cc(c1)-c1nnn(n1)C(C)C

InChI Key: InChIKey=VBPUWVVGXJGULI-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 = 335619   
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))
BDBM335619
PNG
(5-((4-aminopiperidin-1-yl)methyl)-N-(3-isopropoxy-...)
Show SMILES CC(C)Oc1cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)cc(c1)-c1nnn(n1)C(C)C
Show InChI InChI=1S/C25H34N10O/c1-16(2)35-31-24(30-32-35)19-11-21(13-22(12-19)36-17(3)4)29-25-23-18(5-10-34(23)28-15-27-25)14-33-8-6-20(26)7-9-33/h5,10-13,15-17,20H,6-9,14,26H2,1-4H3,(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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