null

SMILES: CC1(CN)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1

InChI Key: InChIKey=JBLYMVJAFCDNOA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 392315   

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))	BDBM392315 (6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2-(...) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 Show InChI InChI=1S/C17H21F3N6S/c1-16(10-21)4-7-26(8-5-16)12-9-24-15(14(22)25-12)27-11-3-2-6-23-13(11)17(18,19)20/h2-3,6,9H,4-5,7-8,10,21H2,1H3,(H2,22,25)	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	29	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM392315 (6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2-(...) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 Show InChI InChI=1S/C17H21F3N6S/c1-16(10-21)4-7-26(8-5-16)12-9-24-15(14(22)25-12)27-11-3-2-6-23-13(11)17(18,19)20/h2-3,6,9H,4-5,7-8,10,21H2,1H3,(H2,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG by Q-patch assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01170 BindingDB Entry DOI: 10.7270/Q2CC14BB
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM392315 (6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2-(...) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 Show InChI InChI=1S/C17H21F3N6S/c1-16(10-21)4-7-26(8-5-16)12-9-24-15(14(22)25-12)27-11-3-2-6-23-13(11)17(18,19)20/h2-3,6,9H,4-5,7-8,10,21H2,1H3,(H2,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01170 BindingDB Entry DOI: 10.7270/Q2CC14BB
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM392315 (6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2-(...) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 Show InChI InChI=1S/C17H21F3N6S/c1-16(10-21)4-7-26(8-5-16)12-9-24-15(14(22)25-12)27-11-3-2-6-23-13(11)17(18,19)20/h2-3,6,9H,4-5,7-8,10,21H2,1H3,(H2,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01170 BindingDB Entry DOI: 10.7270/Q2CC14BB
					More data for this Ligand-Target Pair