BDBM340359 US9758538, Example 47

SMILES: CC1(CC1)OC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1

InChI Key: InChIKey=WCCXUZJXPGCBTF-QFIPXVFZSA-N

Data: 1 KI

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 = 340359   

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
PI3-kinase class I (Homo sapiens (Human))	BDBM340359 (US9758538, Example 47) Show SMILES CC1(CC1)OC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C22H30N8O4/c1-21(2-3-21)34-20(32)30-5-4-22(13-30,14-31)28-17-10-16(15-11-24-18(23)25-12-15)26-19(27-17)29-6-8-33-9-7-29/h10-12,31H,2-9,13-14H2,1H3,(H2,23,24,25)(H,26,27,28)/t22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...				US Patent US9758538 (2017) BindingDB Entry DOI: 10.7270/Q27D2X70
					More data for this Ligand-Target Pair