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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50012343   
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))
BDBM50556732
PNG
(CHEMBL4750435)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc3ccc(=O)oc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
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n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50342004
PNG
(4-(2-(3-(4-nitrophenyl)-5-oxo-1-phenyl-1H-pyrazol-...)
Show SMILES OS(=O)(=O)c1ccc(cc1)N=Nc1c([nH]n(-c2ccccc2)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:10.10|
Show InChI InChI=1S/C21H15N5O6S/c27-21-20(23-22-15-8-12-18(13-9-15)33(30,31)32)19(14-6-10-17(11-7-14)26(28)29)24-25(21)16-4-2-1-3-5-16/h1-13,24H,(H,30,31,32)
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n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556755
PNG
(CHEMBL4763014)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc(cc2)C(O)=O)c2cc(cnc12)-c1ccc2nonc2c1
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n/an/a 65n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556754
PNG
(CHEMBL4781443)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc3nonc3c2)c2cc(cnc12)-c1ccc(NS(C)(=O)=O)cc1
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n/an/a 75n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556737
PNG
(CHEMBL4742016)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc(cc2)C(F)(F)F)c2cc(cnc12)-c1ccc(cc1)C(O)=O
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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556733
PNG
(CHEMBL4755222)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc(cc2)[N+]([O-])=O)c2cc(cnc12)-c1ccc(cc1)C(O)=O
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n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556748
PNG
(CHEMBL4741433)
Show SMILES OC(=O)c1ccc(cc1)-c1cnc2n(cc(-c3ccc4nonc4c3)c2c1)-c1ccccc1
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n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556735
PNG
(CHEMBL4747136)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc3nonc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
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n/an/a 240n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556743
PNG
(CHEMBL4783825)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc(cc2)C#N)c2cc(cnc12)-c1ccc(cc1)C(O)=O
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n/an/a 390n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556736
PNG
(CHEMBL4749307)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc3nonc3c2)c2cc(cnc12)-c1cccc(c1)C(O)=O
PDB
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n/an/a 410n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556734
PNG
(CHEMBL4795725)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc(cc2)[N+]([O-])=O)c2cc(cnc12)-c1cccc(c1)C(O)=O
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n/an/a 410n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50342003
PNG
(CHEMBL501993 | NSC-87877 | disodium 8-hydroxy-7-[(...)
Show SMILES Oc1c(cc(c2cccnc12)S([O-])(=O)=O)N=Nc1ccc2cc(ccc2c1)S([O-])(=O)=O |w:15.16|
Show InChI InChI=1S/C19H13N3O7S2/c23-19-16(10-17(31(27,28)29)15-2-1-7-20-18(15)19)22-21-13-5-3-12-9-14(30(24,25)26)6-4-11(12)8-13/h1-10,23H,(H,24,25,26)(H,27,28,29)/p-2
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n/an/a 410n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556745
PNG
(CHEMBL4753055)
Show SMILES OC(=O)c1ccc(cc1)-c1cnc2n(Cc3ccccc3)cc(-c3ccc4nonc4c3)c2c1
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556746
PNG
(CHEMBL4752755)
Show SMILES COc1ccc(Cn2cc(-c3ccc4nonc4c3)c3cc(cnc23)-c2ccc(cc2)C(O)=O)cc1
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556738
PNG
(CHEMBL4743897)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc(cc2)C(F)(F)F)c2cc(cnc12)-c1cccc(c1)C(O)=O
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556752
PNG
(CHEMBL4760652)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc3nonc3c2)c2cc(cnc12)C1=CCC(CC1)C(O)=O |t:31|
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556740
PNG
(CHEMBL4776595)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccncc2)c2cc(cnc12)-c1cccc(c1)C(O)=O
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556742
PNG
(CHEMBL4788228)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc3OCOc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556753
PNG
(CHEMBL4786030)
Show SMILES CCOC(=O)c1ccc(cc1)-c1cnc2n(cc(-c3ccc4nonc4c3)c2c1)-c1ccc(OC)cc1
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50341989
PNG
(3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFUR...)
Show SMILES CCc1oc2cc(ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C26H19Br2N3O7S3/c1-2-21-23(24(32)14-11-19(27)25(33)20(28)12-14)18-8-7-17(13-22(18)38-21)41(36,37)30-15-3-5-16(6-4-15)40(34,35)31-26-29-9-10-39-26/h3-13,30,33H,2H2,1H3,(H,29,31)
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n/an/a 3.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556747
PNG
(CHEMBL4785204)
Show SMILES COc1cccc(c1)-n1cc(-c2ccc3nonc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556751
PNG
(CHEMBL4786693)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc3nonc3c2)c2cc(\C=C\C(O)=O)cnc12
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556744
PNG
(CHEMBL4762054)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(-c2ccc3nonc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
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n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556750
PNG
(CHEMBL4750922)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc3nonc3c2)c2cc(cnc12)C(O)=O
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n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556739
PNG
(CHEMBL4750590)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccncc2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
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n/an/a 7.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556741
PNG
(CHEMBL4764690)
Show SMILES COc1ccc(cc1)-n1cc(-c2cncnc2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556749
PNG
(CHEMBL4762351)
Show SMILES OC(=O)c1ccc(cc1)-c1cnc2n(nc(-c3ccc4nonc4c3)c2c1)C1CCCCO1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50556756
PNG
(CHEMBL4785466)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc(cc2)C(O)=O)c2cc(cnc12)-c1ccc(cc1)C(O)=O
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50308158
PNG
(3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...)
Show SMILES Cn1c(c(-c2cn(CCC(=O)Nc3ccc(cc3)-c3ccccc3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
Show InChI InChI=1S/C33H27N5O4/c1-37-28-19-29(39)26(33(41)42)18-25(28)31(32(37)23-10-6-3-7-11-23)27-20-38(36-35-27)17-16-30(40)34-24-14-12-22(13-15-24)21-8-4-2-5-9-21/h2-15,18-20,39H,16-17H2,1H3,(H,34,40)(H,41,42)
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Similars

MMDB
PDB
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01265
BindingDB Entry DOI: 10.7270/Q24171QP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)