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BDBM335627 N1-((4-((3-(5-isopropyl-1,3,4-thiadiazol-2-yl)phenyl)amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl)propane-1,3-diamine::US9737542, Example 69

SMILES: CC(C)c1nnc(s1)-c1cccc(Nc2ncnn3c(Br)cc(CNCCCN)c23)c1

InChI Key: InChIKey=IEEOWBVBPDKRBF-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 = 335627   
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))
BDBM335627
PNG
(N1-((4-((3-(5-isopropyl-1,3,4-thiadiazol-2-yl)phen...)
Show SMILES CC(C)c1nnc(s1)-c1cccc(Nc2ncnn3c(Br)cc(CNCCCN)c23)c1
Show InChI InChI=1S/C21H25BrN8S/c1-13(2)20-28-29-21(31-20)14-5-3-6-16(9-14)27-19-18-15(11-24-8-4-7-23)10-17(22)30(18)26-12-25-19/h3,5-6,9-10,12-13,24H,4,7-8,11,23H2,1-2H3,(H,25,26,27)
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