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SMILES: CCn1c(nc2c(N[C@@H](CO)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1

InChI Key: InChIKey=NEFCVZMNHBEPNL-ZENOOKHLSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 361953   
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))		BDBM361953
PNG
((2S)-3-[(cis)-2,6- dimethylmorpholin-4-yl]-2-{[9- ...)
Show SMILES CCn1c(nc2c(N[C@@H](CO)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C21H28N8O3/c1-5-29-19(15-6-22-14(4)23-7-15)27-17-18(24-11-25-20(17)29)26-16(10-30)21(31)28-8-12(2)32-13(3)9-28/h6-7,11-13,16,30H,5,8-10H2,1-4H3,(H,24,25,26)/t12-,13+,16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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