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SMILES: Cc1ccn(CCC(=O)N2CCN(C(=O)C2(C)C)c2cc(ccc2C#N)-c2cc(Cl)c3c(N)ncnn23)n1

InChI Key: InChIKey=SSUIICBDLSZQSI-UHFFFAOYSA-N

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 = 358665   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM358665
PNG
(4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazin-7...)
Show SMILES Cc1ccn(CCC(=O)N2CCN(C(=O)C2(C)C)c2cc(ccc2C#N)-c2cc(Cl)c3c(N)ncnn23)n1
Show InChI InChI=1S/C26H26ClN9O2/c1-16-6-8-33(32-16)9-7-22(37)35-11-10-34(25(38)26(35,2)3)20-12-17(4-5-18(20)14-28)21-13-19(27)23-24(29)30-15-31-36(21)23/h4-6,8,12-13,15H,7,9-11H2,1-3H3,(H2,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Company

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