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BDBM335583 N-(3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)phenyl)-5-((hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine::US9737542, Example 26

SMILES: C(N1CC2CNCC2C1)c1ccn2ncnc(Nc3cccc(c3)-c3nnc(s3)C3CC3)c12

InChI Key: InChIKey=BTPZJQCQSJPHNS-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 = 335583   
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))
BDBM335583
PNG
(N-(3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)phenyl)-...)
Show SMILES C(N1CC2CNCC2C1)c1ccn2ncnc(Nc3cccc(c3)-c3nnc(s3)C3CC3)c12
Show InChI InChI=1S/C24H26N8S/c1-2-16(24-30-29-23(33-24)15-4-5-15)8-20(3-1)28-22-21-17(6-7-32(21)27-14-26-22)11-31-12-18-9-25-10-19(18)13-31/h1-3,6-8,14-15,18-19,25H,4-5,9-13H2,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm990041+
More data for this
Ligand-Target Pair