BDBM139729 US8895549, 16

SMILES: COc1c(OC[C@H](O)CN2CCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3C)=Nc12

InChI Key: InChIKey=FEJHZYUTYOHEOO-MRXNPFEDSA-N

Data: 1 IC50

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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 = 139729   

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 beta isoform (Homo sapiens (Human))	BDBM139729 (US8895549, 16) Show SMILES COc1c(OC[C@H](O)CN2CCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3C)=Nc12 |r,c:34,t:17| Show InChI InChI=1S/C24H28N6O4/c1-15-17(5-3-8-25-15)23(32)28-24-27-20-18(22-26-9-12-30(22)24)6-7-19(21(20)33-2)34-14-16(31)13-29-10-4-11-29/h3,5-8,16,31H,4,9-14H2,1-2H3,(H,27,28,32)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.94	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description As reagents for the kinase reaction itself and the quantification of the reaction product, the PI3-Kinase HTRF Assay kit from Millipore (#33-017) was...				US Patent US8895549 (2014) BindingDB Entry DOI: 10.7270/Q2NC5ZWF
					More data for this Ligand-Target Pair