BDBM361943 US10221178, Compound 2-37::{4-[(2S)-2-{[9-ethyl-8-(2- methylpyrimidin-5-yl)-9H-purin- 6-yl]amino}butanoyl]-(R and S)- morpholin-3-yl}methanol

SMILES: CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC1CO

InChI Key: InChIKey=DQLKTMXMMGROFD-LYKKTTPLSA-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 = 361943   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM361943 (US10221178, Compound 2-37 | {4-[(2S)-2-{[9-ethyl-8...) Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC1CO |r| Show InChI InChI=1S/C21H28N8O3/c1-4-16(21(31)29-6-7-32-11-15(29)10-30)26-18-17-20(25-12-24-18)28(5-2)19(27-17)14-8-22-13(3)23-9-14/h8-9,12,15-16,30H,4-7,10-11H2,1-3H3,(H,24,25,26)/t15?,16-/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/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/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