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BDBM335584 N-(3-(5-isopropyl-1,3,4-thiadiazol-2-yl)phenyl)-5-((4-(methylamino)piperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine::US9737542, Example 27

SMILES: CNC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)-c4nnc(s4)C(C)C)c23)CC1

InChI Key: InChIKey=MRYSPUPMOXNSQR-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 = 335584   
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))
BDBM335584
PNG
(N-(3-(5-isopropyl-1,3,4-thiadiazol-2-yl)phenyl)-5-...)
Show SMILES CNC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)-c4nnc(s4)C(C)C)c23)CC1
Show InChI InChI=1S/C24H30N8S/c1-16(2)23-29-30-24(33-23)17-5-4-6-20(13-17)28-22-21-18(7-12-32(21)27-15-26-22)14-31-10-8-19(25-3)9-11-31/h4-7,12-13,15-16,19,25H,8-11,14H2,1-3H3,(H,26,27,28)
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