BDBM340377 US9758538, Example 65

SMILES: COC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOC[C@@H]1C)-c1cnc(N)nc1

InChI Key: InChIKey=CLNPWRZFBHRGCR-RBZFPXEDSA-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 = 340377   

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))	BDBM340377 (US9758538, Example 65) Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOC[C@@H]1C)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C20H28N8O4/c1-13-10-32-6-5-28(13)18-24-15(14-8-22-17(21)23-9-14)7-16(25-18)26-20(12-29)3-4-27(11-20)19(30)31-2/h7-9,13,29H,3-6,10-12H2,1-2H3,(H2,21,22,23)(H,24,25,26)/t13-,20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0180	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