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BDBM335613 N-(3-(5-isopropyl-1,3,4-thiadiazol-2-yl)phenyl)-5-(morpholinomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine::US9737542, Example 56

SMILES: CC(C)c1nnc(s1)-c1cccc(Nc2ncnn3ccc(CN4CCOCC4)c23)c1

InChI Key: InChIKey=BHNJARSGKMEBNO-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 = 335613   
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))
BDBM335613
PNG
(N-(3-(5-isopropyl-1,3,4-thiadiazol-2-yl)phenyl)-5-...)
Show SMILES CC(C)c1nnc(s1)-c1cccc(Nc2ncnn3ccc(CN4CCOCC4)c23)c1
Show InChI InChI=1S/C22H25N7OS/c1-15(2)21-26-27-22(31-21)16-4-3-5-18(12-16)25-20-19-17(6-7-29(19)24-14-23-20)13-28-8-10-30-11-9-28/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+4n/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