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BDBM357978 (3-(4-amino-5-(1-cyclohexyl-1H-pyrazol-5-yl) pyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl)(1,1- dioxidothiomorpholino)methanone::US10214537, Example 46

SMILES: Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(=O)N1CCS(=O)(=O)CC1

InChI Key: InChIKey=AQIOEYTXHLKCTO-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 357978   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM357978
PNG
((3-(4-amino-5-(1-cyclohexyl-1H-pyrazol-5-yl) pyrro...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(=O)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C26H29N7O3S/c27-25-24-21(22-9-10-29-32(22)20-7-2-1-3-8-20)16-23(33(24)30-17-28-25)18-5-4-6-19(15-18)26(34)31-11-13-37(35,36)14-12-31/h4-6,9-10,15-17,20H,1-3,7-8,11-14H2,(H2,27,28,30)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


BindingDB Entry DOI: 10.7270/Q2HH6NB2
More data for this
Ligand-Target Pair