BDBM392322 (S) and (R)-6-(4-(1-aminoethyl)-4-methylpiperidin-1-yl)-3-((2-(trifluoromethyl)pyridin-3-yl)thio)pyrazin-2-amine::US10301278, Example 41

SMILES: C[C@H](N)C1(C)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1

InChI Key: InChIKey=JLPAVRMSXIYTPW-NSHDSACASA-N

Data: 1 IC50

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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 = 392322   

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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM392322 ((S) and (R)-6-(4-(1-aminoethyl)-4-methylpiperidin-...) Show SMILES C[C@H](N)C1(C)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r| Show InChI InChI=1S/C18H23F3N6S/c1-11(22)17(2)5-8-27(9-6-17)13-10-25-16(15(23)26-13)28-12-4-3-7-24-14(12)18(19,20)21/h3-4,7,10-11H,5-6,8-9,22H2,1-2H3,(H2,23,26)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				J Med Chem 52: 1388-407 (2009) BindingDB Entry DOI: 10.7270/Q2N87D37
					More data for this Ligand-Target Pair