BindingDB logo
myBDB logout

BDBM335611 N-(3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)-5-((4-methylpiperazin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine::US9737542, Example 54

SMILES: CC(C)n1nnc(n1)-c1cccc(Nc2ncnn3ccc(CN4CCN(C)CC4)c23)c1

InChI Key: InChIKey=GRYFMMLEUJYNHW-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 = 335611   
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))
BDBM335611
PNG
(N-(3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)-5-((4-m...)
Show SMILES CC(C)n1nnc(n1)-c1cccc(Nc2ncnn3ccc(CN4CCN(C)CC4)c23)c1
Show InChI InChI=1S/C22H28N10/c1-16(2)32-27-21(26-28-32)17-5-4-6-19(13-17)25-22-20-18(7-8-31(20)24-15-23-22)14-30-11-9-29(3)10-12-30/h4-8,13,15-16H,9-12,14H2,1-3H3,(H,23,24,25)
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