BDBM340312 (Scheme A): Preparation of [(3S)-3-{[2′-amino-5-fluoro-2-(morpholin-4-yl)-4,5′-bipyrimidin-6-yl]amino}-3-(hydroxymethyl)pyrrolidin-1-yl](1-fluorocyclopropyl)methanone::US9758538, Example 1

SMILES: Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)C2(F)CC2)c1F)N1CCOCC1

InChI Key: InChIKey=LIDOSBIJMNIHPF-FQEVSTJZSA-N

Data: 1 KI

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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 = 340312   

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))	BDBM340312 ((Scheme A): Preparation of [(3S)-3-{[2′-amin...) Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)C2(F)CC2)c1F)N1CCOCC1 |r| Show InChI InChI=1S/C21H26F2N8O3/c22-14-15(13-9-25-18(24)26-10-13)27-19(30-5-7-34-8-6-30)28-16(14)29-20(12-32)3-4-31(11-20)17(33)21(23)1-2-21/h9-10,32H,1-8,11-12H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0200	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
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