Found 405 hits of ic50 for UniProtKB: P29350 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50087879
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.335 | 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 6
(Homo sapiens (Human)) | BDBM50610515
(CHEMBL5270661) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1.80 | 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 6
(Homo sapiens (Human)) | BDBM50610516
(CHEMBL5287377) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 16 | 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 6
(Homo sapiens (Human)) | BDBM50202437
(CHEMBL502013)Show SMILES OC(=O)c1cccc(N\N=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)cc2)c1 Show InChI InChI=1S/C22H17FN4O5S/c23-15-6-4-13(5-7-15)12-24-33(31,32)17-8-9-19-18(11-17)20(21(28)25-19)27-26-16-3-1-2-14(10-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28) | PDB
MMDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 18 | 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 6
(Homo sapiens (Human)) | BDBM50610514
(CHEMBL5276767) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 30 | 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 6
(Homo sapiens (Human)) | BDBM50556732
(CHEMBL4750435)Show SMILES COc1ccc(cc1)-n1cc(-c2ccc3ccc(=O)oc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PTPN6 (unknown origin) pre-incubated for 20 mins followed by fluorescence substrate addition and measured after 120 mins by DiFMUP assa... |
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 6
(Homo sapiens (Human)) | BDBM50594492
(CHEMBL3322530)Show SMILES CC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:8| | PDB
MMDB
Reactome pathway
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00473
BindingDB Entry DOI: 10.7270/Q22J6GWG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50335865
(6-Hydroxy-2-(4-methoxyphenyl)-3-(1-(4-(naphthalen-...)Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2cccc3ccccc23)nn1)C(O)=O Show InChI InChI=1S/C32H26N4O6/c1-41-21-13-11-20(12-14-21)31-30(24-16-23(32(39)40)27(37)17-28(24)42-31)26-18-36(35-34-26)15-5-10-29(38)33-25-9-4-7-19-6-2-3-8-22(19)25/h2-4,6-9,11-14,16-18,37H,5,10,15H2,1H3,(H,33,38)(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 335 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Shp1 |
J Med Chem 54: 562-71 (2011)
Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50087879
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 355 | 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 6
(Homo sapiens (Human)) | BDBM152210
(US8987474, NSC-87877)Show SMILES Oc1c(cc(c2cccnc12)S(O)(=O)=O)N=Nc1ccc2cc(ccc2c1)S(O)(=O)=O |w:16.18| 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 355 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2ZS2V61 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50087879
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human SHP1 catalytic domain (205 to 597 residues) expressed in Escherichia coli DH5alpha using 6,8-difluoro-4-methylumbelliferyl phosph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00249
BindingDB Entry DOI: 10.7270/Q2736VH5 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50335867
(3-(1-(4-(4-Chloronaphthalen-1-ylamino)-4-oxobutyl)...)Show SMILES Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2ccc(Cl)c3ccccc23)nn1)C(O)=O Show InChI InChI=1S/C32H25ClN4O5/c1-18-8-10-19(11-9-18)31-30(23-15-22(32(40)41)27(38)16-28(23)42-31)26-17-37(36-35-26)14-4-7-29(39)34-25-13-12-24(33)20-5-2-3-6-21(20)25/h2-3,5-6,8-13,15-17,38H,4,7,14H2,1H3,(H,34,39)(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 378 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Shp1 |
J Med Chem 54: 562-71 (2011)
Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50335868
(6-Hydroxy-3-(1-(4-(naphthalen-1-ylamino)-4-oxobuty...)Show SMILES Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2cccc3ccccc23)nn1)C(O)=O Show InChI InChI=1S/C32H26N4O5/c1-19-11-13-21(14-12-19)31-30(24-16-23(32(39)40)27(37)17-28(24)41-31)26-18-36(35-34-26)15-5-10-29(38)33-25-9-4-7-20-6-2-3-8-22(20)25/h2-4,6-9,11-14,16-18,37H,5,10,15H2,1H3,(H,33,38)(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 408 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Shp1 |
J Med Chem 54: 562-71 (2011)
Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50335870
(6-Hydroxy-3-(1-(4-(6-methoxybenzo[d]thiazol-2-ylam...)Show SMILES COc1ccc2nc(NC(=O)CCCn3cc(nn3)-c3c(oc4cc(O)c(cc34)C(O)=O)-c3cccc(C)c3)sc2c1 Show InChI InChI=1S/C30H25N5O6S/c1-16-5-3-6-17(11-16)28-27(20-13-19(29(38)39)23(36)14-24(20)41-28)22-15-35(34-33-22)10-4-7-26(37)32-30-31-21-9-8-18(40-2)12-25(21)42-30/h3,5-6,8-9,11-15,36H,4,7,10H2,1-2H3,(H,38,39)(H,31,32,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 486 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Shp1 |
J Med Chem 54: 562-71 (2011)
Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50246668
(3-(benzo[d][1,3]dioxol-5-yl)-2-(5-((4aR,6aS,6bR,8a...)Show SMILES CC1(C)CC[C@]2(CCCCC(=O)NC(Cc3ccc4OCOc4c3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:33| Show InChI InChI=1S/C44H65NO6/c1-39(2)20-22-44(17-9-8-10-37(47)45-31(38(48)49)24-28-11-13-32-33(25-28)51-27-50-32)23-21-42(6)29(30(44)26-39)12-14-35-41(5)18-16-36(46)40(3,4)34(41)15-19-43(35,42)7/h11-13,25,30-31,34-36,46H,8-10,14-24,26-27H2,1-7H3,(H,45,47)(H,48,49)/t30-,31?,34-,35+,36-,41-,42+,43+,44+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SHP1 |
Bioorg Med Chem 16: 8697-705 (2008)
Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50425815
(CHEMBL2316908)Show SMILES OC(=O)c1cc2c(C#Cc3ccc(Oc4ccccc4)cc3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C29H18O5/c30-26-18-27-24(17-25(26)29(31)32)23(28(34-27)20-7-3-1-4-8-20)16-13-19-11-14-22(15-12-19)33-21-9-5-2-6-10-21/h1-12,14-15,17-18,30H,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis |
J Med Chem 56: 832-42 (2013)
Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50290925
(CHEMBL4175748)Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(c1)C(=O)Nc1ccc(OC)c(OC)c1 Show InChI InChI=1S/C11H17NO2S/c1-15(13,14)11-4-2-3-9(7-11)10-5-6-12-8-10/h2-4,10-12H,5-8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology (Shandong Academy of Sciences)
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged SHP1 (244 to 570 residues) expressed in Escherichia coli BL21-CondenPlus (DE3) using pNNP as substrate |
Eur J Med Chem 144: 692-700 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.064
BindingDB Entry DOI: 10.7270/Q23B62P2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50246745
(3-(4-Carboxy-benzyloxy)-28-[4-butyric ((S)-1-carbo...)Show SMILES CC1(C)CC[C@]2(CCCCC(=O)N[C@@H](Cc3ccccc3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:29| Show InChI InChI=1S/C51H71NO6/c1-46(2)27-29-51(24-12-11-15-43(53)52-39(45(56)57)31-34-13-9-8-10-14-34)30-28-49(6)37(38(51)32-46)20-21-41-48(5)25-23-42(47(3,4)40(48)22-26-50(41,49)7)58-33-35-16-18-36(19-17-35)44(54)55/h8-10,13-14,16-20,38-42H,11-12,15,21-33H2,1-7H3,(H,52,53)(H,54,55)(H,56,57)/t38-,39-,40-,41+,42-,48-,49+,50+,51+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SHP1 |
Bioorg Med Chem 16: 8697-705 (2008)
Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50436358
(CHEMBL2396718)Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of recombinant SHP-1 (unknown origin) using pNPP as substrate by spectrophotometric analysis |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM124262
(Bis(4-chloro-2-((phenylimino)methyl)phenolate)-oxo...)Show SMILES Clc1ccc2O[V]3(=O)(Oc4ccc(Cl)cc4C=[N]3c3ccccc3)[N](=Cc2c1)c1ccccc1 |c:17,27| Show InChI InChI=1S/2C13H10ClNO.O.V/c2*14-11-6-7-13(16)10(8-11)9-15-12-4-2-1-3-5-12;;/h2*1-9,16H;;/q;;;+2/p-2/b2*15-9+;; | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Shanxi University
| Assay Description
The assays were performed in 20 mM MOPS buffer, pH 7.2, containing 50 mM NaCl and 2 mM GSH. Compounds were dissolved in DMSO and diluted to various c... |
Dalton Trans 41: 11116-24 (2012)
Article DOI: 10.1039/c2dt30198a
BindingDB Entry DOI: 10.7270/Q2DZ070W |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50290909
(CHEMBL4164960)Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(c1)C(=O)OC Show InChI InChI=1S/C23H31N3O8S/c1-6-32-19-10-9-16(12-17(19)22(27)31-4)25-23(28)24-14-15-11-21(34-8-3)18(26-35(5,29)30)13-20(15)33-7-2/h9-13,26H,6-8,14H2,1-5H3,(H2,24,25,28) | PDB
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| n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology (Shandong Academy of Sciences)
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged SHP1 (244 to 570 residues) expressed in Escherichia coli BL21-CondenPlus (DE3) using pNNP as substrate |
Eur J Med Chem 144: 692-700 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.064
BindingDB Entry DOI: 10.7270/Q23B62P2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50512278
(CHEMBL4475724)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc3cc(OCc4ccc(Br)cc4)ccc3c2)C1=O Show InChI InChI=1S/C32H23BrN2O4S2/c33-24-10-6-19(7-11-24)18-39-25-12-9-21-13-20(5-8-22(21)15-25)14-29-30(36)35(32(40)41-29)28(31(37)38)16-23-17-34-27-4-2-1-3-26(23)27/h1-15,17,28,34H,16,18H2,(H,37,38)/b29-14- | PDB
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| Article
PubMed
| n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University College of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged SHP1 (catalytic domain 244 to 570 residues) expressed in Escherichia coli BL21 (DE3) using pNPP as substra... |
Eur J Med Chem 172: 163-173 (2019)
Article DOI: 10.1016/j.ejmech.2019.03.059
BindingDB Entry DOI: 10.7270/Q2028VWB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50391109
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...) | PDB
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Reactome pathway
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| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University College of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged SHP1 (catalytic domain 244 to 570 residues) expressed in Escherichia coli BL21 (DE3) using pNPP as substra... |
Eur J Med Chem 172: 163-173 (2019)
Article DOI: 10.1016/j.ejmech.2019.03.059
BindingDB Entry DOI: 10.7270/Q2028VWB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50054344
(CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...)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
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| US Patent
| n/a | n/a | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Research and Technology Corporation
US Patent
| Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ... |
US Patent US9522881 (2016)
BindingDB Entry DOI: 10.7270/Q2DN4402 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50054344
(CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...)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
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| n/a | n/a | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) |
J Med Chem 57: 6594-609 (2014)
Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50512277
(CHEMBL4445615)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc3cc(OCc4ccc(F)cc4)ccc3c2)C1=O Show InChI InChI=1S/C32H23FN2O4S2/c33-24-10-6-19(7-11-24)18-39-25-12-9-21-13-20(5-8-22(21)15-25)14-29-30(36)35(32(40)41-29)28(31(37)38)16-23-17-34-27-4-2-1-3-26(23)27/h1-15,17,28,34H,16,18H2,(H,37,38)/b29-14- | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University College of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged SHP1 (catalytic domain 244 to 570 residues) expressed in Escherichia coli BL21 (DE3) using pNPP as substra... |
Eur J Med Chem 172: 163-173 (2019)
Article DOI: 10.1016/j.ejmech.2019.03.059
BindingDB Entry DOI: 10.7270/Q2028VWB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50546233
(CHEMBL4757579)Show SMILES CCOC(=O)c1ccc(cc1)N1N=C(\C(=N\Nc2ccc(cc2)S(O)(=O)=O)C1=O)c1ccc(cc1)[N+]([O-])=O |c:13| | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of N-terminal His6-tagged TEV cleavage site-fused human SHP1 (222 to 535 residues) expressed in Escherichia coli BL21(DE3)RILcodon+ or BL2... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00249
BindingDB Entry DOI: 10.7270/Q2736VH5 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM124261
(2-((5-Bromo-2-oxybenzylidene)amino)benzoato-diaqua...)Show SMILES [OH2+][V]12([OH2+])(=O)OC(=O)c3ccccc3[N]1=Cc1cc(ccc1O2)[N+]([O-])=O |c:15| Show InChI InChI=1S/C14H10N2O5.2H2O.O.V/c17-13-6-5-10(16(20)21)7-9(13)8-15-12-4-2-1-3-11(12)14(18)19;;;;/h1-8,17H,(H,18,19);2*1H2;;/q;;;;+4/p-2/b15-8+;;;; | PDB
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| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Shanxi University
| Assay Description
The assays were performed in 20 mM MOPS buffer, pH 7.2, containing 50 mM NaCl and 2 mM GSH. Compounds were dissolved in DMSO and diluted to various c... |
Dalton Trans 41: 11116-24 (2012)
Article DOI: 10.1039/c2dt30198a
BindingDB Entry DOI: 10.7270/Q2DZ070W |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(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
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| n/a | n/a | 1.97E+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 SHP1 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 6
(Homo sapiens (Human)) | BDBM50546232
(CHEMBL4762771)Show SMILES OS(=O)(=O)c1ccc(N\N=C2/C(=O)N(N=C2c2ccc(cc2)[N+]([O-])=O)c2ccc(cc2)[N+]([O-])=O)cc1 |c:14| | PDB
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PubMed
| n/a | n/a | 2.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SHP1 (unknown origin) using 6,8-difluoro-4-methylum-belliferylphosphate as substrate preincubated for 1 hr followed by substrate by flu... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00249
BindingDB Entry DOI: 10.7270/Q2736VH5 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50546229
(CHEMBL4780471)Show SMILES COc1ccc(cc1)N1N=C(\C(=N\Nc2ccc(cc2)S(O)(=O)=O)C1=O)c1ccc(cc1)[N+]([O-])=O |c:10| | PDB
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| Article
PubMed
| n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SHP1 (unknown origin) using 6,8-difluoro-4-methylum-belliferylphosphate as substrate preincubated for 1 hr followed by substrate by flu... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00249
BindingDB Entry DOI: 10.7270/Q2736VH5 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(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
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| n/a | n/a | 2.14E+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 SHP1 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 6
(Homo sapiens (Human)) | BDBM50425808
(CHEMBL2316906)Show SMILES OC(=O)c1cc2c(C#Cc3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C23H12F2O4/c24-15-8-13(9-16(25)10-15)6-7-17-18-11-19(23(27)28)20(26)12-21(18)29-22(17)14-4-2-1-3-5-14/h1-5,8-12,26H,(H,27,28) | PDB
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PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis |
J Med Chem 56: 832-42 (2013)
Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50425807
(CHEMBL2316902)Show SMILES OC(=O)c1cc2c(C#Cc3cccc(c3)C(F)(F)F)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C24H13F3O4/c25-24(26,27)16-8-4-5-14(11-16)9-10-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-6-2-1-3-7-15/h1-8,11-13,28H,(H,29,30) | PDB
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PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis |
J Med Chem 56: 832-42 (2013)
Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50133021
(CHEMBL3634592)Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)N(CC(=O)OC)S(C)(=O)=O)c1ccc(CN(Cc2ccccc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C34H39N3O9S3/c1-5-46-32-19-21-33(22-20-32)49(43,44)37(25-29-13-15-30(16-14-29)36(48(4,41)42)26-34(38)45-2)31-17-11-28(12-18-31)24-35(47(3,39)40)23-27-9-7-6-8-10-27/h6-22H,5,23-26H2,1-4H3 | PDB
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PubMed
| n/a | n/a | 2.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) assessed as hydrolysis of pNPP to pNP after 30 mins |
Bioorg Med Chem 23: 7079-88 (2015)
Article DOI: 10.1016/j.bmc.2015.09.024
BindingDB Entry DOI: 10.7270/Q2QZ2CTV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50096222
(CHEMBL3593818)Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C33H47N5O6/c1-4-22(2)30-29(40)21-37-17-11-10-16-28(37)33(43)34-25(14-7-5-6-12-18-39)31(41)35-26(32(42)36-30)19-23-20-38(44-3)27-15-9-8-13-24(23)27/h8-9,13,15,18,20,22,25-26,28,30H,4-7,10-12,14,16-17,19,21H2,1-3H3,(H,34,43)(H,35,41)(H,36,42)/t22?,25-,26-,28+,30-/m0/s1 | PDB
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| n/a | n/a | 2.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) using pNPP as substrate |
Bioorg Med Chem 23: 4891-8 (2015)
Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50351780
(CHEMBL1823762)Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1Cl Show InChI InChI=1S/C29H23ClFNO4/c30-25-7-3-1-5-20(25)12-14-28(33)32-27(29(34)35)16-19-9-10-22-17-24(13-11-21(22)15-19)36-18-23-6-2-4-8-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-12+ | PDB
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PubMed
| n/a | n/a | 2.43E+3 | n/a | n/a | n/a | n/a | 8.0 | n/a |
Yanbian University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SHP1 in Tris buffer at pH 8 using OMPF as substrate |
Eur J Med Chem 46: 3630-8 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50184997
(CHEMBL3822604)Show SMILES COC(=O)CN(c1ccc(CN(c2ccc(OCc3ccc(C)cc3)c(c2)C(=O)OC)S(=O)(=O)Cc2ccccc2)cc1)S(C)(=O)=O Show InChI InChI=1S/C34H36N2O9S2/c1-25-10-12-27(13-11-25)23-45-32-19-18-30(20-31(32)34(38)44-3)36(47(41,42)24-28-8-6-5-7-9-28)21-26-14-16-29(17-15-26)35(46(4,39)40)22-33(37)43-2/h5-20H,21-24H2,1-4H3 | PDB
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| Article
PubMed
| n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human SHP1 using pNPP as substrate incubated for 30 mins |
Eur J Med Chem 118: 27-33 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.014
BindingDB Entry DOI: 10.7270/Q2JS9SCC |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50425806
(CHEMBL2316907)Show SMILES OC(=O)c1cc2c(C#Cc3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C24H13F3O5/c25-24(26,27)32-16-9-6-14(7-10-16)8-11-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-4-2-1-3-5-15/h1-7,9-10,12-13,28H,(H,29,30) | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis |
J Med Chem 56: 832-42 (2013)
Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM124264
(Bis(4-nitro-2-((phenylimino)methyl)phenolate)-oxov...)Show SMILES [O-][N+](=O)c1ccc2O[V]3(=O)(Oc4ccc(cc4C=[N]3c3ccccc3)[N+]([O-])=O)[N](=Cc2c1)c1ccccc1 |c:18,31| Show InChI InChI=1S/2C13H10N2O3.O.V/c2*16-13-7-6-12(15(17)18)8-10(13)9-14-11-4-2-1-3-5-11;;/h2*1-9,16H;;/q;;;+2/p-2/b2*14-9+;; | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Shanxi University
| Assay Description
The assays were performed in 20 mM MOPS buffer, pH 7.2, containing 50 mM NaCl and 2 mM GSH. Compounds were dissolved in DMSO and diluted to various c... |
Dalton Trans 41: 11116-24 (2012)
Article DOI: 10.1039/c2dt30198a
BindingDB Entry DOI: 10.7270/Q2DZ070W |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50526048
(CHEMBL4536323)Show SMILES CC(C)c1ccc(Oc2ccc(cc2)-c2cnc(o2)-c2cc(O)c(O)c(Br)c2Br)cc1 Show InChI InChI=1S/C24H19Br2NO4/c1-13(2)14-3-7-16(8-4-14)30-17-9-5-15(6-10-17)20-12-27-24(31-20)18-11-19(28)23(29)22(26)21(18)25/h3-13,28-29H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) |
Eur J Med Chem 166: 178-185 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.057
BindingDB Entry DOI: 10.7270/Q2BR8WM5 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50425816
(CHEMBL2316910)Show SMILES OC(=O)c1cc2c(C#Cc3ccc(F)cc3F)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C23H12F2O4/c24-15-8-6-13(19(25)10-15)7-9-16-17-11-18(23(27)28)20(26)12-21(17)29-22(16)14-4-2-1-3-5-14/h1-6,8,10-12,26H,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis |
J Med Chem 56: 832-42 (2013)
Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50391109
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) |
Eur J Med Chem 166: 178-185 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.057
BindingDB Entry DOI: 10.7270/Q2BR8WM5 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50530578
(CHEMBL4452781)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r,t:4| Show InChI InChI=1S/C25H34N2O/c1-16-7-5-8-21-24(16,3)11-10-17(2)25(21,4)15-18-13-19(28)14-20-23(18)27-12-6-9-22(27)26-20/h7,13-14,17,21,28H,5-6,8-12,15H2,1-4H3/t17-,21+,24+,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50530581
(CHEMBL4444045)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2ncoc12 |r,t:4| Show InChI InChI=1S/C22H29NO2/c1-14-6-5-7-19-21(14,3)9-8-15(2)22(19,4)12-16-10-17(24)11-18-20(16)25-13-23-18/h6,10-11,13,15,19,24H,5,7-9,12H2,1-4H3/t15-,19+,21+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50530580
(CHEMBL4446933)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2[nH]c(=O)oc12 |r,t:4| Show InChI InChI=1S/C22H29NO3/c1-13-6-5-7-18-21(13,3)9-8-14(2)22(18,4)12-15-10-16(24)11-17-19(15)26-20(25)23-17/h6,10-11,14,18,24H,5,7-9,12H2,1-4H3,(H,23,25)/t14-,18+,21+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50530579
(CHEMBL4452883)Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r| Show InChI InChI=1S/C25H34N2O/c1-16-7-5-8-21-24(16,3)11-10-17(2)25(21,4)15-18-13-19(28)14-20-23(18)27-12-6-9-22(27)26-20/h13-14,17,21,28H,1,5-12,15H2,2-4H3/t17-,21+,24+,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50530581
(CHEMBL4444045)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2ncoc12 |r,t:4| Show InChI InChI=1S/C22H29NO2/c1-14-6-5-7-19-21(14,3)9-8-15(2)22(19,4)12-16-10-17(24)11-18-20(16)25-13-23-18/h6,10-11,13,15,19,24H,5,7-9,12H2,1-4H3/t15-,19+,21+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50530580
(CHEMBL4446933)Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2[nH]c(=O)oc12 |r,t:4| Show InChI InChI=1S/C22H29NO3/c1-13-6-5-7-18-21(13,3)9-8-14(2)22(18,4)12-15-10-16(24)11-17-19(15)26-20(25)23-17/h6,10-11,14,18,24H,5,7-9,12H2,1-4H3,(H,23,25)/t14-,18+,21+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 6
(Homo sapiens (Human)) | BDBM50530579
(CHEMBL4452883)Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r| Show InChI InChI=1S/C25H34N2O/c1-16-7-5-8-21-24(16,3)11-10-17(2)25(21,4)15-18-13-19(28)14-20-23(18)27-12-6-9-22(27)26-20/h13-14,17,21,28H,1,5-12,15H2,2-4H3/t17-,21+,24+,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Inhibition of SHP1 (unknown origin) |
J Nat Prod 82: 2586-2593 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V |
More data for this
Ligand-Target Pair | |
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