Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 11' and Ligand = 'BDBM497131'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM497131 (US11001561, Compound 106) Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wD:15.17,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,)| Show InChI InChI=1S/C25H26Cl2N4O/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28/h3-9,22H,10-14,28H2,1-2H3/t22-/m1/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human N-terminal His6-tagged full length SHP2 expressed in Escherichia coli using DiFMUP as substrate measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00621 BindingDB Entry DOI: 10.7270/Q2ST7TFF
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM497131 (US11001561, Compound 106) Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wD:15.17,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,)| Show InChI InChI=1S/C25H26Cl2N4O/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28/h3-9,22H,10-14,28H2,1-2H3/t22-/m1/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at SHP2 in human KYSE520 cells assessed as inhibition of ERK1/2 phosphorylation incubated for 2 hrs				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00621 BindingDB Entry DOI: 10.7270/Q2ST7TFF
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM497131 (US11001561, Compound 106) Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wD:15.17,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,)| Show InChI InChI=1S/C25H26Cl2N4O/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28/h3-9,22H,10-14,28H2,1-2H3/t22-/m1/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...				US Patent US11001561 (2021) BindingDB Entry DOI: 10.7270/Q2BC42PT
					More data for this Ligand-Target Pair