Found 4163 hits Enz. Inhib. hit(s) with Target = 'Src homology phosphatase 2 (SHP-2)' 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)) | BDBM50406429
(CHEMBL5276842)Show InChI InChI=1S/C8H11NO6S3/c1-6(10)15-4-5-17(11,12)7-2-3-8(16-7)18(9,13)14/h2-3H,4-5H2,1H3,(H2,9,13,14) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human dihydrofolate reductase |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50579902
(CHEMBL5072349)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | 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 | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human His-tagged SHP2 N-SH2 domain (2 to 111 residues) expressed in Escherichia coli (DE3) Rosetta2 competent cells assessed as d... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01371
BindingDB Entry DOI: 10.7270/Q2TB1BRW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50579904
(CHEMBL5085273)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | 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 | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human His-tagged SHP2 N-SH2 domain (2 to 111 residues) expressed in Escherichia coli (DE3) Rosetta2 competent cells assessed as d... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01371
BindingDB Entry DOI: 10.7270/Q2TB1BRW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50579903
(CHEMBL5082085)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| | 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 | n/a | 7 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human His-tagged SHP2 N-SH2 domain (2 to 111 residues) expressed in Escherichia coli (DE3) Rosetta2 competent cells assessed as d... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01371
BindingDB Entry DOI: 10.7270/Q2TB1BRW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50579905
(CHEMBL5083503)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | 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 | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human His-tagged SHP2 N-SH2 domain (2 to 111 residues) expressed in Escherichia coli (DE3) Rosetta2 competent cells assessed as d... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01371
BindingDB Entry DOI: 10.7270/Q2TB1BRW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50579901
(CHEMBL5087443)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r| | 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 | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human His-tagged SHP2 N-SH2 domain (2 to 111 residues) expressed in Escherichia coli (DE3) Rosetta2 competent cells assessed as d... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01371
BindingDB Entry DOI: 10.7270/Q2TB1BRW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50579906
(CHEMBL5078939)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCCCC[N+]1=C(\C=C\C=C2\N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,c:50| | 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 | n/a | 23 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human His-tagged SHP2 N-SH2 domain (2 to 111 residues) expressed in Escherichia coli (DE3) Rosetta2 competent cells assessed as d... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01371
BindingDB Entry DOI: 10.7270/Q2TB1BRW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM384117
(1-(3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazi...)Show SMILES CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C17H18Cl2N6/c1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8,20H2,1H3,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01132
BindingDB Entry DOI: 10.7270/Q2JS9VC6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM38019
(US10093646, Compound 1 | US10301278, Example 00003...)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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to N-terminal His tagged TEV-cleavage site fused human full length wild type SHP2 (1 to 529 residues) expressed in Escherichia coli ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00249
BindingDB Entry DOI: 10.7270/Q2736VH5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM38019
(US10093646, Compound 1 | US10301278, Example 00003...)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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to full length SHP2 E76K mutant (unknown origin) expressed in Escherichia coli BL21(DE3) competent cells by isothermal titration cal... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00249
BindingDB Entry DOI: 10.7270/Q2736VH5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50333645
(CHEMBL1756 | Estramustine phosphate)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2OP(O)(O)=O |r| Show InChI InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/t18-,19-,20+,21+,23+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant SHP2 by surface plasmon response |
Bioorg Med Chem Lett 21: 730-3 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.117
BindingDB Entry DOI: 10.7270/Q27944ZM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50531400
(CHEMBL4435688)Show SMILES CCOc1cc(O)c(cc1CN1CCC=C(C1)n1c2ccccc2[nH]c1=O)C(=O)\C=C\c1ccc(Cl)cc1Cl |c:15| Show InChI InChI=1S/C30H27Cl2N3O4/c1-2-39-29-16-28(37)23(27(36)12-10-19-9-11-21(31)15-24(19)32)14-20(29)17-34-13-5-6-22(18-34)35-26-8-4-3-7-25(26)33-30(35)38/h3-4,6-12,14-16,37H,2,5,13,17-18H2,1H3,(H,33,38)/b12-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.90E+4 | n/a | n/a | n/a | n/a | n/a |
Emory University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to full length wild type His-tagged SHP2 (unknown origin) by MST assay |
J Med Chem 62: 1125-1137 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00513
BindingDB Entry DOI: 10.7270/Q2D2224D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50553786
(CHEMBL4789106)Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114106
BindingDB Entry DOI: 10.7270/Q26977NN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM38019
(US10093646, Compound 1 | US10301278, Example 00003...)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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114106
BindingDB Entry DOI: 10.7270/Q26977NN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50112356
(CHEMBL3609373)Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1 Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Competitive inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a substrate Lineweaver-Burk plot analysis |
ACS Med Chem Lett 6: 782-6 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50608349
(CHEMBL4063482) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 652 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50342004
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of SHP-2 |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50404040
(CHEMBL5288934)Show SMILES CC(=O)c1ccc2-c3[nH]c4ccccc4c3C[C@@H](COC(=O)CCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)n2c1=O Show InChI InChI=1S/C37H42N4O6/c1-25(42)29-13-14-33-36-31(30-11-3-4-12-32(30)39-36)22-27(41(33)37(29)45)24-47-35(44)16-15-34(43)38-17-8-20-46-28-10-7-9-26(21-28)23-40-18-5-2-6-19-40/h3-4,7,9-14,21,27,39H,2,5-6,8,15-20,22-24H2,1H3,(H,38,43)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Ras Farnesyltransferase enzyme from pig brain |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM199180
(US9217012, 10)Show SMILES CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)COC1CC(C)CCC1C(C)C)C(N)=O Show InChI InChI=1S/C46H62F2N5O9P/c1-5-31-15-19-34(20-16-31)43(56)50-24-10-9-13-37(42(49)55)52-45(58)39(27-33-17-21-35(22-18-33)46(47,48)63(59,60)61)53-44(57)38(26-32-11-7-6-8-12-32)51-41(54)28-62-40-25-30(4)14-23-36(40)29(2)3/h6-8,11-12,15-22,29-30,36-40H,5,9-10,13-14,23-28H2,1-4H3,(H2,49,55)(H,50,56)(H,51,54)(H,52,58)(H,53,57)(H2,59,60,61) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| >1.00E+3 | >-34.2 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Indiana University Research and Technology Corporation
US Patent
| Assay Description
PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in DMG buffer (50 mM DMG, pH 7.0, 1 mM EDTA, 150 mM NaCl, 2 mM DTT, 0.1 ... |
US Patent US9217012 (2015)
BindingDB Entry DOI: 10.7270/Q2FX788H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50348092
(CHEMBL1800273)Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University
Curated by ChEMBL
| Assay Description
Competitive inhibition at SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion by spectrophotometry |
Bioorg Med Chem Lett 21: 4238-42 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.078
BindingDB Entry DOI: 10.7270/Q2JQ11CJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50348092
(CHEMBL1800273)Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University
Curated by ChEMBL
| Assay Description
Reversible inhibition at SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion by spectrophotometry |
Bioorg Med Chem Lett 21: 4238-42 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.078
BindingDB Entry DOI: 10.7270/Q2JQ11CJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50308158
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of SHP2 Src homology-2 domain expressed in Escherichia coli BL21 (DE3) assessed as inhibition of p-nitrophenyl phosphate hydrolysis by Lin... |
J Med Chem 53: 2482-93 (2010)
Article DOI: 10.1021/jm901645u
BindingDB Entry DOI: 10.7270/Q2639PVD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50420258
(CEFSULODIN)Show SMILES NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1 |t:8| Show InChI InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p+1/t15-,17?,21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Competitive inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a substrate Lineweaver-Burk plot analysis |
ACS Med Chem Lett 6: 782-6 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24516
((2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-th...)Show InChI InChI=1S/C14H11N3O2S2/c1-19-10-4-2-9(3-5-10)8-11-12(18)16-14(21-11)17-13-15-6-7-20-13/h2-8H,1H3,(H,15,16,17,18)/b11-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.17E+4 | -28.1 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24524
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-metho...)Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-16(22)20-18(25-15)21-17-19-13-4-2-3-5-14(13)24-17/h2-10H,1H3,(H,19,20,21,22)/b15-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.17E+4 | -28.1 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24523
((2E,5E)-2-{[4-(adamantan-1-yl)-1,3-thiazol-2-yl]im...)Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc(cs2)C23CC4CC(CC(C4)C2)C3)ccc1O |TLB:21:22:26:20.25.19,THB:21:20:26:22.27.23,23:24:22.21.27:19,23:22:24.25.26:19| Show InChI InChI=1S/C24H25N3O3S2/c1-30-18-7-13(2-3-17(18)28)8-19-21(29)26-23(32-19)27-22-25-20(12-31-22)24-9-14-4-15(10-24)6-16(5-14)11-24/h2-3,7-8,12,14-16,28H,4-6,9-11H2,1H3,(H,25,26,27,29)/b19-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.23E+4 | -28.0 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24526
((2E,5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylid...)Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc3ccc(cc3s2)[N+]([O-])=O)cc(OC)c1O Show InChI InChI=1S/C19H14N4O6S2/c1-28-12-5-9(6-13(29-2)16(12)24)7-15-17(25)21-19(31-15)22-18-20-11-4-3-10(23(26)27)8-14(11)30-18/h3-8,24H,1-2H3,(H,20,21,22,25)/b15-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.29E+4 | -27.9 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24527
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-nitro...)Show SMILES [O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-5-7-11(8-6-10)21(23)24)26-17(19-15)20-16-18-12-3-1-2-4-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.62E+4 | -27.3 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24525
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-hydro...)Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc(OC)c1O Show InChI InChI=1S/C19H15N3O4S2/c1-25-12-7-10(8-13(26-2)16(12)23)9-15-17(24)21-19(28-15)22-18-20-11-5-3-4-6-14(11)27-18/h3-9,23H,1-2H3,(H,20,21,22,24)/b15-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.81E+4 | -27.1 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24529
((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-metho...)Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1 Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-17(22)20-18(24-15)19-16-13-4-2-3-5-14(13)25-21-16/h2-10H,1H3,(H,19,20,21,22)/b15-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.28E+4 | -26.5 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24515
((2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]...)Show InChI InChI=1S/C14H11N3O3S2/c1-20-10-6-8(2-3-9(10)18)7-11-12(19)16-14(22-11)17-13-15-4-5-21-13/h2-7,18H,1H3,(H,15,16,17,19)/b11-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.56E+4 | -26.2 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24528
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(3-nitro...)Show SMILES [O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)c1 Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-4-3-5-11(8-10)21(23)24)26-17(19-15)20-16-18-12-6-1-2-7-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.87E+4 | -25.9 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50132465
(5-{(S)-2-((S)-2-tert-Butoxycarbonylamino-3-phenyl-...)Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C39H47N3O13/c1-23(35(46)47)54-30-17-16-25(20-26(30)36(48)49)22-27(33(44)40-18-9-10-19-53-31-15-11-14-29(43)32(31)37(50)52-5)41-34(45)28(21-24-12-7-6-8-13-24)42-38(51)55-39(2,3)4/h6-8,11-17,20,23,27-28,43H,9-10,18-19,21-22H2,1-5H3,(H,40,44)(H,41,45)(H,42,51)(H,46,47)(H,48,49)/t23?,27-,28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory potency of the compound against Tyrosine phosphatase SHP2 |
Bioorg Med Chem Lett 13: 3129-32 (2003)
BindingDB Entry DOI: 10.7270/Q24B30QV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50132461
(2-(4-{2-tert-Butoxycarbonylamino-2-[4-(3-hydroxy-2...)Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C29H36N2O12/c1-29(2,3)43-28(39)31-19(16-17-10-12-18(13-11-17)42-23(25(34)35)26(36)37)24(33)30-14-5-6-15-41-21-9-7-8-20(32)22(21)27(38)40-4/h7-13,19,23,32H,5-6,14-16H2,1-4H3,(H,30,33)(H,31,39)(H,34,35)(H,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory potency of the compound against Tyrosine phosphatase SHP2 |
Bioorg Med Chem Lett 13: 3129-32 (2003)
BindingDB Entry DOI: 10.7270/Q24B30QV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50132460
(2-[4-((S)-2-tert-Butoxycarbonylamino-3-{4-[(2-carb...)Show SMILES CCC(CN(C(=O)C(O)=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1)C(O)=O Show InChI InChI=1S/C33H43N3O12/c1-6-21(29(40)41)19-36(28(39)30(42)43)22-14-12-20(13-15-22)18-23(35-32(45)48-33(2,3)4)27(38)34-16-7-8-17-47-25-11-9-10-24(37)26(25)31(44)46-5/h9-15,21,23,37H,6-8,16-19H2,1-5H3,(H,34,38)(H,35,45)(H,40,41)(H,42,43)/t21?,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory potency of the compound against Tyrosine phosphatase SHP2 |
Bioorg Med Chem Lett 13: 3129-32 (2003)
BindingDB Entry DOI: 10.7270/Q24B30QV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24521
((2E,5E)-5-[(2-chlorophenyl)methylidene]-2-(1,3-thi...)Show InChI InChI=1S/C13H8ClN3OS2/c14-9-4-2-1-3-8(9)7-10-11(18)16-13(20-10)17-12-15-5-6-19-12/h1-7H,(H,15,16,17,18)/b10-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.23E+4 | -25.6 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24519
((2E,5E)-5-[(4-chlorophenyl)methylidene]-2-(1,3-thi...)Show InChI InChI=1S/C13H8ClN3OS2/c14-9-3-1-8(2-4-9)7-10-11(18)16-13(20-10)17-12-15-5-6-19-12/h1-7H,(H,15,16,17,18)/b10-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.45E+4 | -24.3 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24530
((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-hydro...)Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)ccc1O Show InChI InChI=1S/C18H13N3O3S2/c1-24-13-8-10(6-7-12(13)22)9-15-17(23)20-18(25-15)19-16-11-4-2-3-5-14(11)26-21-16/h2-9,22H,1H3,(H,19,20,21,23)/b15-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.08E+4 | -23.1 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24522
((2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]...)Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc(cs2)-c2ccccc2)ccc1O Show InChI InChI=1S/C20H15N3O3S2/c1-26-16-9-12(7-8-15(16)24)10-17-18(25)22-20(28-17)23-19-21-14(11-27-19)13-5-3-2-4-6-13/h2-11,24H,1H3,(H,21,22,23,25)/b17-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.03E+5 | -22.8 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24513
((2E,5E)-5-[(4-hydroxyphenyl)methylidene]-2-(1,3-th...)Show InChI InChI=1S/C13H9N3O2S2/c17-9-3-1-8(2-4-9)7-10-11(18)15-13(20-10)16-12-14-5-6-19-12/h1-7,17H,(H,14,15,16,18)/b10-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.88E+5 | -19.5 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24517
((2E,5E)-5-[(4-nitrophenyl)methylidene]-2-(1,3-thia...)Show SMILES [O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1 Show InChI InChI=1S/C13H8N4O3S2/c18-11-10(7-8-1-3-9(4-2-8)17(19)20)22-13(15-11)16-12-14-5-6-21-12/h1-7H,(H,14,15,16,18)/b10-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.74E+5 | -19.0 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24518
((2E,5E)-5-[(3-nitrophenyl)methylidene]-2-(1,3-thia...)Show SMILES [O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1 Show InChI InChI=1S/C13H8N4O3S2/c18-11-10(7-8-2-1-3-9(6-8)17(19)20)22-13(15-11)16-12-14-4-5-21-12/h1-7H,(H,14,15,16,18)/b10-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.48E+5 | -18.6 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM24520
((2E,5E)-5-[(3-chlorophenyl)methylidene]-2-(1,3-thi...)Show InChI InChI=1S/C13H8ClN3OS2/c14-9-3-1-2-8(6-9)7-10-11(18)16-13(20-10)17-12-15-4-5-19-12/h1-7H,(H,15,16,17,18)/b10-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.09E+6 | -16.9 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Aristotle University
| Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before... |
J Med Chem 51: 5221-8 (2008)
Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM53072
((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)Show InChI InChI=1S/C15H14N2OS3/c1-3-9-17-13(18)12(21-15(17)19)14-16(4-2)10-7-5-6-8-11(10)20-14/h3,5-8H,1,4,9H2,2H3/b14-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged SHP2 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub... |
J Med Chem 56: 7212-21 (2013)
Article DOI: 10.1021/jm400474r
BindingDB Entry DOI: 10.7270/Q2CZ38M6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50391428
(CHEMBL1358724)Show SMILES CC1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 |c:4| Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged SHP2 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub... |
J Med Chem 56: 7212-21 (2013)
Article DOI: 10.1021/jm400474r
BindingDB Entry DOI: 10.7270/Q2CZ38M6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM51317
(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)Show InChI InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged SHP2 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub... |
J Med Chem 56: 7212-21 (2013)
Article DOI: 10.1021/jm400474r
BindingDB Entry DOI: 10.7270/Q2CZ38M6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM83922
(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged SHP2 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub... |
J Med Chem 56: 7212-21 (2013)
Article DOI: 10.1021/jm400474r
BindingDB Entry DOI: 10.7270/Q2CZ38M6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM53072
((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)Show InChI InChI=1S/C15H14N2OS3/c1-3-9-17-13(18)12(21-15(17)19)14-16(4-2)10-7-5-6-8-11(10)20-14/h3,5-8H,1,4,9H2,2H3/b14-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by ChEMBL
| Assay Description
Inhibition of wild type GST-tagged full-length SHP2 (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substra... |
J Med Chem 56: 7212-21 (2013)
Article DOI: 10.1021/jm400474r
BindingDB Entry DOI: 10.7270/Q2CZ38M6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM433290
(3-(4-(aminomethyl)-4- methylpiperidin-1-yl)-6- ((2...)Show SMILES CC1(CN)CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)[nH]c1=O Show InChI InChI=1S/C17H20Cl2N4OS/c1-17(10-20)5-7-23(8-6-17)15-16(24)22-13(9-21-15)25-12-4-2-3-11(18)14(12)19/h2-4,9H,5-8,10,20H2,1H3,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
SYNBLia Therapeutics, Inc.
US Patent
| Assay Description
IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as... |
US Patent US10561655 (2020)
BindingDB Entry DOI: 10.7270/Q23F4S2Z |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM433292
(6-amino-2-(3- (aminomethyl)-3- methylpyrrolidin-1-...)Show SMILES Cn1c(nc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)C1 Show InChI InChI=1S/C17H21Cl2N5OS/c1-17(8-20)6-7-24(9-17)16-22-14(21)13(15(25)23(16)2)26-11-5-3-4-10(18)12(11)19/h3-5H,6-9,20-21H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
SYNBLia Therapeutics, Inc.
US Patent
| Assay Description
IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as... |
US Patent US10561655 (2020)
BindingDB Entry DOI: 10.7270/Q23F4S2Z |
More data for this
Ligand-Target Pair | |
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