BDBM361977 (S or R)-4-[(2S)-2-{[9-ethyl-8- (2-methylpyrimidin-5-yl)-9H- purin-6-yl]amino}butanoyl]- 1,6-dimethylpiperazin-2-one::US10221178, Compound 4-5::US10221178, Compound 4-6

SMILES: CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC(C)N(C)C(=O)C1

InChI Key: InChIKey=PYDWWLYRUCYUCF-VYIIXAMBSA-N

Data: 2 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 2 hits for monomerid = 361977   

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))	BDBM361977 ((S or R)-4-[(2S)-2-{[9-ethyl-8- (2-methylpyrimidin...) Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC(C)N(C)C(=O)C1 |r| Show InChI InChI=1S/C22H29N9O2/c1-6-16(22(33)30-10-13(3)29(5)17(32)11-30)27-19-18-21(26-12-25-19)31(7-2)20(28-18)15-8-23-14(4)24-9-15/h8-9,12-13,16H,6-7,10-11H2,1-5H3,(H,25,26,27)/t13?,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	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM361977 ((S or R)-4-[(2S)-2-{[9-ethyl-8- (2-methylpyrimidin...) Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC(C)N(C)C(=O)C1 |r| Show InChI InChI=1S/C22H29N9O2/c1-6-16(22(33)30-10-13(3)29(5)17(32)11-30)27-19-18-21(26-12-25-19)31(7-2)20(28-18)15-8-23-14(4)24-9-15/h8-9,12-13,16H,6-7,10-11H2,1-5H3,(H,25,26,27)/t13?,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	6.10	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