BDBM361919 1-[(2S)-2-{[9-ethyl-8-(2- methylpyrimidin-5-yl)-9H-purin- 6-yl]amino}butanoyl]piperidine- 4-carbonitrile::US10221178, Compound 2-13

SMILES: CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCC(CC1)C#N

InChI Key: InChIKey=XMQVIVOWIIMRES-KRWDZBQOSA-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 = 361919   

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))	BDBM361919 (1-[(2S)-2-{[9-ethyl-8-(2- methylpyrimidin-5-yl)-9H...) Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCC(CC1)C#N |r| Show InChI InChI=1S/C22H27N9O/c1-4-17(22(32)30-8-6-15(10-23)7-9-30)28-19-18-21(27-13-26-19)31(5-2)20(29-18)16-11-24-14(3)25-12-16/h11-13,15,17H,4-9H2,1-3H3,(H,26,27,28)/t17-/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	26	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