BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 760 hits Enz. Inhib. hit(s) with Target = 'Protein-Tyrosine Phosphatase SHP-2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1/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 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
510n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(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
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 
Purchase

CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
700n/an/an/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of SHP-2


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM199180
PNG
(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=1/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
AffyNet 
US Patent
>1.00E+3n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50348092
PNG
(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 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50348092
PNG
(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 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
5.20E+3n/an/an/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50420258
PNG
(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
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 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
6.60E+3n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24524
PNG
((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

AffyNet 
Article
PubMed
1.17E+4 -28.1n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24516
PNG
((2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-th...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
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

AffyNet 
Article
PubMed
1.17E+4 -28.1n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24523
PNG
((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
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

AffyNet 
Article
PubMed
1.23E+4 -28.0n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24526
PNG
((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

AffyNet 
Article
PubMed
1.29E+4 -27.9n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24527
PNG
((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

AffyNet 
Article
PubMed
1.62E+4 -27.3n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24525
PNG
((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

AffyNet 
Article
PubMed
1.81E+4 -27.1n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24529
PNG
((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

AffyNet 
Article
PubMed
2.28E+4 -26.5n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24515
PNG
((2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nccs2)ccc1O
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

AffyNet 
Article
PubMed
2.56E+4 -26.2n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24528
PNG
((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

AffyNet 
Article
PubMed
2.87E+4 -25.9n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50132460
PNG
(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

AffyNet 
PubMed
>3.00E+4n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50132465
PNG
(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

AffyNet 
PubMed
>3.00E+4n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50132461
PNG
(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

AffyNet 
PubMed
>3.00E+4n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24521
PNG
((2E,5E)-5-[(2-chlorophenyl)methylidene]-2-(1,3-thi...)
Show SMILES Clc1ccccc1\C=C1\S\C(NC1=O)=N\c1nccs1
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

AffyNet 
Article
PubMed
3.23E+4 -25.6n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24519
PNG
((2E,5E)-5-[(4-chlorophenyl)methylidene]-2-(1,3-thi...)
Show SMILES Clc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
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

AffyNet 
Article
PubMed
5.45E+4 -24.3n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24530
PNG
((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

AffyNet 
Article
PubMed
9.08E+4 -23.1n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24522
PNG
((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

AffyNet 
Article
PubMed
1.03E+5 -22.8n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24513
PNG
((2E,5E)-5-[(4-hydroxyphenyl)methylidene]-2-(1,3-th...)
Show SMILES Oc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
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

AffyNet 
Article
PubMed
3.88E+5 -19.5n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24517
PNG
((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

AffyNet 
Article
PubMed
4.74E+5 -19.0n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24518
PNG
((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

AffyNet 
Article
PubMed
5.48E+5 -18.6n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24520
PNG
((2E,5E)-5-[(3-chlorophenyl)methylidene]-2-(1,3-thi...)
Show SMILES Clc1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1
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

AffyNet 
Article
PubMed
1.09E+6 -16.9n/an/an/an/an/a7.025



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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50064333
PNG
(CHEMBL49860 | Phosphoric acid mono-(2-amino-4-{2-a...)
Show SMILES NC(Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)NC1(CCCCC1)C(=O)NC(CC(N)=O)C(N)=O
Show InChI InChI=1S/C20H31N6O8P/c21-12-8-11(4-5-15(12)34-35(31,32)33)9-13(22)18(29)26-20(6-2-1-3-7-20)19(30)25-14(17(24)28)10-16(23)27/h4-5,8,13-14H,1-3,6-7,9-10,21-22H2,(H2,23,27)(H2,24,28)(H,25,30)(H,26,29)(H2,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of interaction between the activated tyrosine kinase receptors and Shp2 SH2 domains in the Ras signal transduction pathway.


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Liaoning Normal University

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM88810
PNG
((3E)-5-hydroxy-6-methyl-3-(2,3,5-trihydroxy-4-meth...)
Show SMILES CC1C(=O)C(=O)C(C(=O)C1=O)=c1c(O)c(O)c(=C)c(O)c1O
Show InChI InChI=1S/C14H10O8/c1-3-7(15)11(19)5(12(20)8(3)16)6-13(21)9(17)4(2)10(18)14(6)22/h4,15-16,19-20H,1H2,2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PCBioAssay
n/an/a<160n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50054344
PNG
(CHEMBL3319356)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50054257
PNG
(CHEMBL3319376)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-3-2-4-22(13-20)35-30(39)29(38)34-21-11-9-19(10-12-21)18-7-5-17(16-33)6-8-18/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50054258
PNG
(CHEMBL3319377)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-6-3-7-22(13-20)35-30(39)29(38)34-21-10-8-18(9-11-21)19-5-2-4-17(12-19)16-33/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM80129
PNG
((4-chlorophenyl)-(4-ethyl-1-piperazinyl)methanethi...)
Show SMILES CCN1CCN(CC1)C(=S)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H17ClN2S/c1-2-15-7-9-16(10-8-15)13(17)11-3-5-12(14)6-4-11/h3-6H,2,7-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 318n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM152210
PNG
(US8987474, NSC-87877)
Show SMILES Oc1c(cc(c2cccnc12)S(O)(=O)=O)N=Nc1ccc2cc(ccc2c1)S(O)(=O)=O
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)/b22-21+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 318n/an/an/an/an/an/a



University of South Florida; H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
NSC-87877 ranked among top 10% (175th) of the compounds with the best GLIDE scores for the docking to the human Shp2 PTP domain in our virtual screen...


US Patent US8987474 (2015)

More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM152158
PNG
(US8987474, NSC-87877)
Show SMILES OOOSc1ccc2cc(ccc2c1)\N=N/c1cc(c2cccnc2c1O)S(O)(=O)=O
Show InChI InChI=1S/C19H13N3O7S2/c23-19-16(10-17(31(25,26)27)15-2-1-7-20-18(15)19)22-21-13-5-3-12-9-14(30-29-28-24)6-4-11(12)8-13/h1-10,23-24H,(H,25,26,27)/b22-21-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 318n/an/an/an/an/an/a



University of South Florida; H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
NSC-87877 ranked among top 10% (175th) of the compounds with the best GLIDE scores for the docking to the human Shp2 PTP domain in our virtual screen...


US Patent US8987474 (2015)

More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50087879
PNG
(CHEMBL472004 | NSC-87877)
Show SMILES Oc1c(cc(c2cccnc12)S(O)(=O)=O)\N=N\c1ccc2cc(ccc2c1)S(O)(=O)=O
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)/b22-21+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 318n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged SHP2 (205 to 593) expressed in Escherichia coli DH5-alpha using DiFMUP as substrate after 30 mins by fluor...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(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
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of SHP-2


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50328746
PNG
(4-hydroxy-6-(phenylamino)naphthalene-2-sulfonate |...)
Show SMILES Oc1cc(cc2ccc(Nc3ccccc3)cc12)S(O)(=O)=O
Show InChI InChI=1S/C16H13NO4S/c18-16-10-14(22(19,20)21)8-11-6-7-13(9-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PCBioAssay
n/an/a 335n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM40987
PNG
(MLS000109444 | N-[(4E)-4-(3H-1,3-benzoxazol-2-ylid...)
Show SMILES CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1
Show InChI InChI=1S/C23H20N2O4/c1-2-15-7-10-17(11-8-15)28-14-22(27)24-16-9-12-18(20(26)13-16)23-25-19-5-3-4-6-21(19)29-23/h3-13,26H,2,14H2,1H3,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PCBioAssay
n/an/a 368n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50054259
PNG
(CHEMBL3319378)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccccc2-c2ccc(CO)o2)c1
Show InChI InChI=1S/C29H22IN3O7/c1-33-22-13-23(35)20(29(38)39)12-19(22)25(30)26(33)15-5-4-6-16(11-15)31-27(36)28(37)32-21-8-3-2-7-18(21)24-10-9-17(14-34)40-24/h2-13,34-35H,14H2,1H3,(H,31,36)(H,32,37)(H,38,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM83199
PNG
(2-[7-(dihydroxymethylene)-5,6-diketo-cyclohepta-1,...)
Show SMILES OC(=O)Cc1cccc(=O)c(O)c1C(O)=O
Show InChI InChI=1S/C10H8O6/c11-6-3-1-2-5(4-7(12)13)8(9(6)14)10(15)16/h1-3H,4H2,(H,11,14)(H,12,13)(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
AffyNet 
PCBioAssay
n/an/a 376n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50054260
PNG
(CHEMBL3319379)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccco2)c1
Show InChI InChI=1S/C28H20IN3O6/c1-32-21-14-22(33)20(28(36)37)13-19(21)24(29)25(32)16-6-3-8-18(12-16)31-27(35)26(34)30-17-7-2-5-15(11-17)23-9-4-10-38-23/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM53567
PNG
(5-(2,4-dichlorophenyl)-N-[4-(3-methyl-[1,2,4]triaz...)
Show SMILES Cc1nnc2sc(nn12)-c1ccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C21H13Cl2N5O2S/c1-11-25-26-21-28(11)27-20(31-21)12-2-5-14(6-3-12)24-19(29)18-9-8-17(30-18)15-7-4-13(22)10-16(15)23/h2-10H,1H3,(H,24,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PCBioAssay
n/an/a 409n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM50054261
PNG
(CHEMBL3319380)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-5-3-7-22(13-20)35-30(39)29(38)34-21-6-2-4-19(12-21)18-10-8-17(16-33)9-11-18/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM51772
PNG
(MLS000665240 | N-(4-bromophenyl)-2-(4-methyl-1-pip...)
Show SMILES CN1CCN(CC1)C(=S)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C13H16BrN3OS/c1-16-6-8-17(9-7-16)13(19)12(18)15-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H,15,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 431n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM48877
PNG
(3-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimid...)
Show SMILES OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H18FN3O4S/c27-18-10-8-15(9-11-18)23-29-24-20(13-16-4-1-2-7-21(16)34-24)25(30-23)35-14-22(31)28-19-6-3-5-17(12-19)26(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 443n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM25127
PNG
((2E)-3-{3-chloro-4-[3-(3,3-dimethylbut-1-yn-1-yl)-...)
Show SMILES CC(C)(C)C#Cc1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
Show InChI InChI=1S/C21H19ClO3/c1-21(2,3)11-10-16-13-15(6-8-19(16)23)17-7-4-14(12-18(17)22)5-9-20(24)25/h4-9,12-13,23H,1-3H3,(H,24,25)/b9-5+
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a 450n/an/an/an/a6.030



Burnham Institute for Medical Research



Assay Description
The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM61325
PNG
(1-N,3-N-bis(2-hydroxy-5-nitrophenyl)benzene-1,3-di...)
Show SMILES Oc1ccc(cc1NC(=O)c1cccc(c1)C(=O)Nc1cc(ccc1O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C20H14N4O8/c25-17-6-4-13(23(29)30)9-15(17)21-19(27)11-2-1-3-12(8-11)20(28)22-16-10-14(24(31)32)5-7-18(16)26/h1-10,25-26H,(H,21,27)(H,22,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 456n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM39936
PNG
((3aR,6aS)-3-(2-chlorophenyl)-5-(2,5-dimethoxypheny...)
Show SMILES COc1ccc(OC)c(c1)-n1c(O)c2o[nH]c(-c3ccccc3Cl)c2c1=O
Show InChI InChI=1S/C19H15ClN2O5/c1-25-10-7-8-14(26-2)13(9-10)22-18(23)15-16(21-27-17(15)19(22)24)11-5-3-4-6-12(11)20/h3-9,21,24H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

AffyNet 
PCBioAssay
n/an/a 469n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 760 total )  |  Next  |  Last  >>
Jump to: