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BDBM333995 (S)-1-(3-((8-(2-(tert- butyl)thiazol-5-yl)-9-methyl-9H- purin-6-yl)oxy)pyrrolidin-1- yl)propan-1-one::US9730940, Compound 2-96

SMILES: CCC(=O)N1CCC(C1)Oc1ncnc2n(C)c(nc12)-c1cnc(s1)C(C)(C)C

InChI Key: InChIKey=KZVLUYWRJIUXEP-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 = 333995   
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))
BDBM333995
PNG
((S)-1-(3-((8-(2-(tert- butyl)thiazol-5-yl)-9-methy...)
Show SMILES CCC(=O)N1CCC(C1)Oc1ncnc2n(C)c(nc12)-c1cnc(s1)C(C)(C)C
Show InChI InChI=1S/C20H26N6O2S/c1-6-14(27)26-8-7-12(10-26)28-18-15-17(22-11-23-18)25(5)16(24-15)13-9-21-19(29-13)20(2,3)4/h9,11-12H,6-8,10H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair