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BDBM361938 9-ethyl-N-[(1S)-1-{[3-(1- methylethyl)morpholin-4- yl]carbonyl}propyl]-8-(2- methylpyrimidin-5-yl)-9H-purin- 6-amine::US10221178, Compound 2-32

SMILES: CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC1C(C)C

InChI Key: InChIKey=DHTXUSOUOBNCBY-ZENAZSQFSA-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 = 361938   
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))
BDBM361938
PNG
(9-ethyl-N-[(1S)-1-{[3-(1- methylethyl)morpholin-4-...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC1C(C)C |r|
Show InChI InChI=1S/C23H32N8O2/c1-6-17(23(32)31-8-9-33-12-18(31)14(3)4)28-20-19-22(27-13-26-20)30(7-2)21(29-19)16-10-24-15(5)25-11-16/h10-11,13-14,17-18H,6-9,12H2,1-5H3,(H,26,27,28)/t17-,18?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 83n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...


US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair