BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 11' and Ligand = 'BDBM395926'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395926
PNG
(6-amino-2-(4-(aminomethyl)-4-methylpiperidin-1-yl)...)
Show SMILES Cn1c(nc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H23Cl2N5OS/c1-18(10-21)6-8-25(9-7-18)17-23-15(22)14(16(26)24(17)2)27-12-5-3-4-11(19)13(12)20/h3-5H,6-10,21-22H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as surrogate substrate as preincu...


J Med Chem 62: 1793-1802 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01726
BindingDB Entry DOI: 10.7270/Q29K4FQK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395926
PNG
(6-amino-2-(4-(aminomethyl)-4-methylpiperidin-1-yl)...)
Show SMILES Cn1c(nc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H23Cl2N5OS/c1-18(10-21)6-8-25(9-7-18)17-23-15(22)14(16(26)24(17)2)27-12-5-3-4-11(19)13(12)20/h3-5H,6-10,21-22H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as surrogate substrate as preincu...


J Med Chem 62: 1793-1802 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01726
BindingDB Entry DOI: 10.7270/Q29K4FQK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395926
PNG
(6-amino-2-(4-(aminomethyl)-4-methylpiperidin-1-yl)...)
Show SMILES Cn1c(nc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H23Cl2N5OS/c1-18(10-21)6-8-25(9-7-18)17-23-15(22)14(16(26)24(17)2)27-12-5-3-4-11(19)13(12)20/h3-5H,6-10,21-22H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/an/an/an/an/an/a



Wyeth Research



Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...


Bioorg Med Chem Lett 19: 3445-8 (2009)


BindingDB Entry DOI: 10.7270/Q27S7R48
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395926
PNG
(6-amino-2-(4-(aminomethyl)-4-methylpiperidin-1-yl)...)
Show SMILES Cn1c(nc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H23Cl2N5OS/c1-18(10-21)6-8-25(9-7-18)17-23-15(22)14(16(26)24(17)2)27-12-5-3-4-11(19)13(12)20/h3-5H,6-10,21-22H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SHP2 in human KYSE520 cells assessed as reduction in ERK phosphorylation after 2 hrs by SureFire p-ERK assay


J Med Chem 62: 1793-1802 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01726
BindingDB Entry DOI: 10.7270/Q29K4FQK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM395926
PNG
(6-amino-2-(4-(aminomethyl)-4-methylpiperidin-1-yl)...)
Show SMILES Cn1c(nc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
Show InChI InChI=1S/C18H23Cl2N5OS/c1-18(10-21)6-8-25(9-7-18)17-23-15(22)14(16(26)24(17)2)27-12-5-3-4-11(19)13(12)20/h3-5H,6-10,21-22H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SHP2 in human KYSE520 cells assessed as reduction in ERK phosphorylation after 2 hrs by SureFire p-ERK assay


J Med Chem 62: 1793-1802 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01726
BindingDB Entry DOI: 10.7270/Q29K4FQK
More data for this
Ligand-Target Pair