BDBM170096 US9073940, 454

SMILES: CN1CCC(CC1)OCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12

InChI Key: InChIKey=ADDKHACIHJBWDD-NRFANRHFSA-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 = 170096   

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
Phosphoinositide 3-kinases (PI3K) (Homo sapiens (Human))	BDBM170096 (US9073940, 454) Show SMILES CN1CCC(CC1)OCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r| Show InChI InChI=1S/C28H39N5O5S/c1-30-11-8-22(9-12-30)38-18-13-31-10-4-5-21(19-31)33-27-23-6-2-3-7-25(23)39(35,36)20-24(27)26(29-33)28(34)32-14-16-37-17-15-32/h2-3,6-7,21-22H,4-5,8-20H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
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