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BDBM335577 5-((hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methyl)-N-(3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine::US9737542, Example 20

SMILES: Cc1nnc(s1)-c1cccc(Nc2ncnn3ccc(CN4CC5CNCC5C4)c23)c1

InChI Key: InChIKey=GNLVZDCDIJKJBD-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 = 335577   
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))
BDBM335577
PNG
(5-((hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methyl)...)
Show SMILES Cc1nnc(s1)-c1cccc(Nc2ncnn3ccc(CN4CC5CNCC5C4)c23)c1
Show InChI InChI=1S/C22H24N8S/c1-14-27-28-22(31-14)15-3-2-4-19(7-15)26-21-20-16(5-6-30(20)25-13-24-21)10-29-11-17-8-23-9-18(17)12-29/h2-7,13,17-18,23H,8-12H2,1H3,(H,24,25,26)
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