BDBM139748 US8895549, 38

SMILES: COc1c(OC[C@H](O)CN2CCCC2)ccc2C3=NCCN3C(NC(=O)c3scnc3C)=Nc12

InChI Key: InChIKey=OTJZHEYHMKHLSU-OAHLLOKOSA-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 = 139748   

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))	BDBM139748 (US8895549, 38) Show SMILES COc1c(OC[C@H](O)CN2CCCC2)ccc2C3=NCCN3C(NC(=O)c3scnc3C)=Nc12 |r,c:34,t:18| Show InChI InChI=1S/C23H28N6O4S/c1-14-20(34-13-25-14)22(31)27-23-26-18-16(21-24-7-10-29(21)23)5-6-17(19(18)32-2)33-12-15(30)11-28-8-3-4-9-28/h5-6,13,15,30H,3-4,7-12H2,1-2H3,(H,26,27,31)/t15-/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	5.64	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