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PubMed code 29155585

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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))		BDBM38019
PNG
(US10093646, Compound 1 | US10301278, Example 00003...)
Show SMILES CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H34N4O2/c1-18-8-7-9-19-16-20(23(29)26-22(18)19)17-28(15-14-27-12-5-6-13-27)24(30)25-21-10-3-2-4-11-21/h7-9,16,21H,2-6,10-15,17H2,1H3,(H,25,30)(H,26,29)
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n/an/a 60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Allosteric inhibition of 2P-IRS-1 stimulated wild type SHP2 (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preinc...

J Med Chem 60: 10205-10219 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01520
BindingDB Entry DOI: 10.7270/Q24170G4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50250914
PNG
(CHEMBL4091173)
Show SMILES CC1(N)CCN(CC1)c1nc(cs1)-c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C19H20BrN3S/c1-19(21)6-8-23(9-7-19)18-22-17(12-24-18)15-3-2-14-11-16(20)5-4-13(14)10-15/h2-5,10-12H,6-9,21H2,1H3
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n/an/a 2.75E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDC25A (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrat...

J Med Chem 60: 10205-10219 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01520
BindingDB Entry DOI: 10.7270/Q24170G4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50250914
PNG
(CHEMBL4091173)
Show SMILES CC1(N)CCN(CC1)c1nc(cs1)-c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C19H20BrN3S/c1-19(21)6-8-23(9-7-19)18-22-17(12-24-18)15-3-2-14-11-16(20)5-4-13(14)10-15/h2-5,10-12H,6-9,21H2,1H3
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n/an/a 3.12E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrate...

J Med Chem 60: 10205-10219 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01520
BindingDB Entry DOI: 10.7270/Q24170G4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6


(Homo sapiens (Human))		BDBM50250914
PNG
(CHEMBL4091173)
Show SMILES CC1(N)CCN(CC1)c1nc(cs1)-c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C19H20BrN3S/c1-19(21)6-8-23(9-7-19)18-22-17(12-24-18)15-3-2-14-11-16(20)5-4-13(14)10-15/h2-5,10-12H,6-9,21H2,1H3
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n/an/a 3.46E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrate ...

J Med Chem 60: 10205-10219 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01520
BindingDB Entry DOI: 10.7270/Q24170G4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50250914
PNG
(CHEMBL4091173)
Show SMILES CC1(N)CCN(CC1)c1nc(cs1)-c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C19H20BrN3S/c1-19(21)6-8-23(9-7-19)18-22-17(12-24-18)15-3-2-14-11-16(20)5-4-13(14)10-15/h2-5,10-12H,6-9,21H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrat...

J Med Chem 60: 10205-10219 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01520
BindingDB Entry DOI: 10.7270/Q24170G4
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Homo sapiens (Human))		BDBM50250914
PNG
(CHEMBL4091173)
Show SMILES CC1(N)CCN(CC1)c1nc(cs1)-c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C19H20BrN3S/c1-19(21)6-8-23(9-7-19)18-22-17(12-24-18)15-3-2-14-11-16(20)5-4-13(14)10-15/h2-5,10-12H,6-9,21H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of MKP3 (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrate ...

J Med Chem 60: 10205-10219 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01520
BindingDB Entry DOI: 10.7270/Q24170G4
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))		BDBM50250914
PNG
(CHEMBL4091173)
Show SMILES CC1(N)CCN(CC1)c1nc(cs1)-c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C19H20BrN3S/c1-19(21)6-8-23(9-7-19)18-22-17(12-24-18)15-3-2-14-11-16(20)5-4-13(14)10-15/h2-5,10-12H,6-9,21H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMW-PTP (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substra...

J Med Chem 60: 10205-10219 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01520
BindingDB Entry DOI: 10.7270/Q24170G4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50250916
PNG
(CHEMBL4088271)
Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C18H25N3S/c1-17(2)10-14(11-18(3,4)21-17)19-16-20-15(12-22-16)13-8-6-5-7-9-13/h5-9,12,14,21H,10-11H2,1-4H3,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Allosteric inhibition of 2P-IRS-1 stimulated wild type SHP2 (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preinc...

J Med Chem 60: 10205-10219 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01520
BindingDB Entry DOI: 10.7270/Q24170G4
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))		BDBM50250914
PNG
(CHEMBL4091173)
Show SMILES CC1(N)CCN(CC1)c1nc(cs1)-c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C19H20BrN3S/c1-19(21)6-8-23(9-7-19)18-22-17(12-24-18)15-3-2-14-11-16(20)5-4-13(14)10-15/h2-5,10-12H,6-9,21H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of VHR (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrate a...

J Med Chem 60: 10205-10219 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01520
BindingDB Entry DOI: 10.7270/Q24170G4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%