Found 4142 hits of ic50 data for polymerid = 2619,2620 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 11
(Homo sapiens (Human)) | BDBM50571444
(CHEMBL4858291)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(N)c3Cl)c(N)n2)[C@@H]1N |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 | 0.0170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human SHP2 catalytic activity in human MV4-11 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113341
BindingDB Entry DOI: 10.7270/Q2K0782R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50546219
(CHEMBL4752026 | US11596633, Compound B | US1170239...)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| | n/a | n/a | 0.0583 | 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)) | 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 | 0.145 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human SHP2 catalytic activity in human MV4-11 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113341
BindingDB Entry DOI: 10.7270/Q2K0782R |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50571445
(CHEMBL4871539)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)CCC(=O)NCCCOCCOCCOCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)c3Cl)c(N)n2)[C@@H]1N |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 | 0.202 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human SHP2 catalytic activity in human MV4-11 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113341
BindingDB Entry DOI: 10.7270/Q2K0782R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM497105
(US11001561, Compound 81a | US11702392, Compound 81...)Show SMILES Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wD:17.20,(-7.45,-1.1,;-6.68,-2.44,;-5.14,-2.44,;-4.37,-3.77,;-2.83,-3.77,;-2.06,-5.1,;-.52,-5.1,;.25,-3.77,;-.52,-2.44,;-2.06,-2.44,;1.16,-2.53,;2.62,-3,;3.96,-2.23,;5.29,-3,;5.29,-4.54,;3.96,-5.31,;2.62,-4.54,;1.16,-5.02,;.68,-6.48,;-5.14,-5.1,;-4.37,-6.44,;-6.68,-5.1,;-7.45,-6.44,;-7.45,-3.77,;-8.99,-3.77,;-9.76,-2.44,;-11.3,-2.44,;-12.07,-3.77,;-11.3,-5.1,;-12.07,-6.44,;-9.76,-5.1,;-8.99,-6.44,)| Show InChI InChI=1S/C24H24Cl2N4O2/c1-14-22(28-15(2)30(23(14)31)18-8-5-7-17(25)20(18)26)29-12-10-24(11-13-29)21(27)16-6-3-4-9-19(16)32-24/h3-9,21H,10-13,27H2,1-2H3/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2891B0Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM636747
(US11827644, Example 11)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(NC(=O)c4c(O)nc5CCCCn5c4=O)c3Cl)cn2)[C@@H]1N |r,$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;$| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.310 | 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)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.318 | 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)) | BDBM488485
(US10954243, Example 16)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3nc2CO)[C@@H]1N |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 | 0.400 | n/a | 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 | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50404041
(CHEMBL5287751)Show SMILES [O-][N+](=O)c1ccc(NCCCCCC(=O)NCC[N-]C(NCCCOc2cccc(CN3CCCCC3)c2)=[NH+]C#N)c2[n-][o+]nc12 |w:38.40| Show InChI InChI=1S/C31H42N10O5/c32-23-37-31(35-15-8-20-45-25-10-7-9-24(21-25)22-40-18-5-2-6-19-40)36-17-16-34-28(42)11-3-1-4-14-33-26-12-13-27(41(43)44)30-29(26)38-46-39-30/h7,9-10,12-13,21,33H,1-6,8,11,14-20,22H2,(H3,34,35,36,37,42) | 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 | 0.583 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro antagonistic activity against kinin-induced rabbit jugular vein contraction. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50546219
(CHEMBL4752026 | US11596633, Compound B | US1170239...)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| | n/a | n/a | 0.583 | 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)) | BDBM575655
((S)-(6-((2-amino-3-chloropyridin-4-yl)thio)- 3-(5-...)Show SMILES N[C@@H]1c2cccnc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)nc1CO |r| | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028VS0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50610515
(CHEMBL5270661) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.630 | 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)) | BDBM497078
(US11001561, Compound 66b | US11702392, Compound 66...)Show SMILES Cc1nc(N2CCC3(Cc4ncccc4[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wU:15.17,(-3.34,2.87,;-2.94,1.38,;-1.45,.98,;-1.05,-.51,;.44,-.91,;.83,-2.39,;2.32,-2.79,;3.41,-1.7,;4,-3.13,;5.54,-3,;6.65,-4.06,;8.13,-3.62,;8.49,-2.13,;7.37,-1.07,;5.89,-1.51,;4.58,-.7,;4.58,.84,;3.01,-.22,;1.52,.18,;-2.14,-1.6,;-1.74,-3.08,;-3.63,-1.2,;-4.72,-2.29,;-4.03,.29,;-5.51,.69,;-6.6,-.4,;-8.09,-0,;-8.49,1.49,;-7.4,2.57,;-7.8,4.06,;-5.91,2.18,;-4.82,3.26,)| Show InChI InChI=1S/C24H25Cl2N5O/c1-14-22(29-15(2)31(23(14)32)19-7-3-6-17(25)20(19)26)30-11-8-24(9-12-30)13-18-16(21(24)27)5-4-10-28-18/h3-7,10,21H,8-9,11-13,27H2,1-2H3/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2891B0Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM628494
(US20230339882, Example A02)Show SMILES COc1cccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | 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)) | BDBM628564
(US20230339882, Example A54 | US20230339882, Exampl...)Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc(C(N)=O)c(Cl)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | 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)) | BDBM497145
(US11001561, Compound 119b | US11702392, Compound 1...)Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccccc3[C@@H]2N)CC1 |wU:27.31,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;.11,-5.1,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,)| Show InChI InChI=1S/C24H24Cl2N4O/c1-15-28-20(13-21(31)30(15)19-8-4-7-18(25)22(19)26)29-11-9-24(10-12-29)14-16-5-2-3-6-17(16)23(24)27/h2-8,13,23H,9-12,14,27H2,1H3/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2891B0Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM497144
(US11001561, Compound 119a | US11702392, Compound 1...)Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |wD:27.31,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;.11,-5.1,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,)| Show InChI InChI=1S/C24H24Cl2N4O/c1-15-28-20(13-21(31)30(15)19-8-4-7-18(25)22(19)26)29-11-9-24(10-12-29)14-16-5-2-3-6-17(16)23(24)27/h2-8,13,23H,9-12,14,27H2,1H3/t23-/m1/s1 | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged full length SHP2 expressed in Escherichia coli using DiFMUP as substrate measured aft... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00621
BindingDB Entry DOI: 10.7270/Q2ST7TFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM497145
(US11001561, Compound 119b | US11702392, Compound 1...)Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccccc3[C@@H]2N)CC1 |wU:27.31,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;.11,-5.1,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,)| Show InChI InChI=1S/C24H24Cl2N4O/c1-15-28-20(13-21(31)30(15)19-8-4-7-18(25)22(19)26)29-11-9-24(10-12-29)14-16-5-2-3-6-17(16)23(24)27/h2-8,13,23H,9-12,14,27H2,1H3/t23-/m0/s1 | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing... |
US Patent US11001561 (2021)
BindingDB Entry DOI: 10.7270/Q2BC42PT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM575622
((6-((2-amino-3-chloropyridin-4-yl)thio)-3- ((3S,4S...)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)nc2CO)[C@@H]1N |r| | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028VS0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM628565
(US20230339882, Example A09)Show SMILES COc1ccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.900 | 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)) | BDBM497131
(US11001561, Compound 106)Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wD:15.17,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,)| Show InChI InChI=1S/C25H26Cl2N4O/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28/h3-9,22H,10-14,28H2,1-2H3/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged full length SHP2 expressed in Escherichia coli using DiFMUP as substrate measured aft... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00621
BindingDB Entry DOI: 10.7270/Q2ST7TFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM488485
(US10954243, Example 16)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3nc2CO)[C@@H]1N |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 | 1 | n/a | 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 | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM497088
(US11001561, Compound 74a | US11702392, Compound 10...)Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wD:15.17,(-3.34,2.87,;-2.94,1.38,;-1.45,.98,;-1.05,-.51,;.44,-.91,;.83,-2.39,;2.32,-2.79,;3.41,-1.7,;4,-3.13,;5.54,-3,;6.65,-4.06,;8.13,-3.62,;8.49,-2.13,;7.37,-1.07,;5.89,-1.51,;4.58,-.7,;4.58,.84,;3.01,-.22,;1.52,.18,;-2.14,-1.6,;-1.74,-3.08,;-3.63,-1.2,;-4.72,-2.29,;-4.03,.29,;-5.51,.69,;-6.6,-.4,;-8.09,-0,;-8.49,1.49,;-7.4,2.57,;-7.8,4.06,;-5.91,2.18,;-4.82,3.26,)| Show InChI InChI=1S/C25H26Cl2N4O/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28/h3-9,22H,10-14,28H2,1-2H3/t22-/m1/s1 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing... |
US Patent US11001561 (2021)
BindingDB Entry DOI: 10.7270/Q2BC42PT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM608905
((3M)-6-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)Show SMILES Cc1nc(N2CC[C@]3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wD:7.7,15.17,(-4.02,2.61,;-3.25,1.28,;-1.71,1.28,;-.94,-.05,;.6,-.05,;1.37,1.28,;2.91,1.28,;3.69,-.02,;4.75,-1.14,;6.14,-.48,;7.56,-1.08,;8.79,-.14,;8.59,1.38,;7.17,1.98,;5.94,1.04,;4.43,1.33,;3.77,2.72,;2.91,-1.38,;1.37,-1.38,;-1.71,-1.39,;-.94,-2.72,;-3.25,-1.39,;-4.02,-2.72,;-4.02,-.05,;-5.7,-.06,;-6.47,-1.39,;-8.01,-1.39,;-8.78,-.06,;-8.01,1.28,;-8.79,2.61,;-6.47,1.28,;-5.71,2.61,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2891B0Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM527814
((3S,4S)-8-(8-((2- amino-3- chloropyridin-4- yl)thi...)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM628572
((S)-4-((3-(5-(1-amino-1,3-dihydro spiro[indene-2,4...)Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccc(cc1)C#N | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | 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)) | BDBM608514
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r,wD:29.33,(-2.37,3.52,;-2.37,1.98,;-1.04,1.21,;-1.04,-.33,;-2.37,-1.1,;-3.71,-.33,;-5.04,-1.1,;-5.04,-2.64,;-6.37,-.33,;-3.71,1.21,;-5.04,1.98,;-6.37,1.21,;-7.71,1.98,;-7.71,3.52,;-6.37,4.29,;-6.37,5.83,;-5.04,3.52,;-3.71,4.29,;.29,-1.1,;.29,-2.64,;1.63,-3.41,;2.96,-2.64,;3.12,-4.17,;4.63,-4.49,;5.4,-5.83,;6.94,-5.83,;7.71,-4.49,;6.94,-3.16,;5.4,-3.16,;4.37,-2.02,;5.14,-.68,;2.96,-1.1,;1.63,-.33,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2JS9VKW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM497078
(US11001561, Compound 66b | US11702392, Compound 66...)Show SMILES Cc1nc(N2CCC3(Cc4ncccc4[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wU:15.17,(-3.34,2.87,;-2.94,1.38,;-1.45,.98,;-1.05,-.51,;.44,-.91,;.83,-2.39,;2.32,-2.79,;3.41,-1.7,;4,-3.13,;5.54,-3,;6.65,-4.06,;8.13,-3.62,;8.49,-2.13,;7.37,-1.07,;5.89,-1.51,;4.58,-.7,;4.58,.84,;3.01,-.22,;1.52,.18,;-2.14,-1.6,;-1.74,-3.08,;-3.63,-1.2,;-4.72,-2.29,;-4.03,.29,;-5.51,.69,;-6.6,-.4,;-8.09,-0,;-8.49,1.49,;-7.4,2.57,;-7.8,4.06,;-5.91,2.18,;-4.82,3.26,)| Show InChI InChI=1S/C24H25Cl2N5O/c1-14-22(29-15(2)31(23(14)32)19-7-3-6-17(25)20(19)26)30-11-8-24(9-12-30)13-18-16(21(24)27)5-4-10-28-18/h3-7,10,21H,8-9,11-13,27H2,1-2H3/t21-/m0/s1 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing... |
US Patent US11001561 (2021)
BindingDB Entry DOI: 10.7270/Q2BC42PT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM484440
(US10934285, Example 24)Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C28H33ClN8O3S/c29-22-16(33-24(38)21-25(39)35-19-8-1-2-12-37(19)27(21)40)5-3-6-17(22)41-26-23(31)34-20(15-32-26)36-13-10-28(11-14-36)9-4-7-18(28)30/h3,5-6,15,18,39H,1-2,4,7-14,30H2,(H2,31,34)(H,33,38)/t18-/m1/s1 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Allosteric inhibition of [IRSl_pY1172(dPEG8)pY1222] peptide-activated SHP2 (unknown origin) using DiFMUP as substrate preincubated for 30 to 60 mins ... |
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 11
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1 | 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)) | BDBM503416
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:1.0,(4.07,3.3,;4.55,1.84,;6.01,1.36,;7.34,2.13,;8.68,1.36,;8.68,-.18,;7.34,-.95,;6.01,-.18,;4.55,-.66,;3.64,.59,;2.87,1.92,;1.33,1.92,;.56,.59,;1.33,-.74,;2.87,-.74,;-.98,.59,;-1.75,1.92,;-3.29,1.92,;-4.06,3.26,;-4.06,.59,;-5.6,.59,;-6.37,-.74,;-7.91,-.74,;-8.68,.59,;-7.91,1.92,;-8.68,3.26,;-6.37,1.92,;-6.77,3.41,;-3.29,-.74,;-1.75,-.74,;-4.06,-2.08,;-3.29,-3.41,;-5.6,-2.08,)| | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2930X9N |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM503414
((5P)-6-amino-2-[(1S)-1-amino-1,3- dihydrospiro[ind...)Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc(N)c(C2=C(Cl)C(Cl)=CCC2)c(n1)C(N)=O |r,c:23,27| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2930X9N |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM497078
(US11001561, Compound 66b | US11702392, Compound 66...)Show SMILES Cc1nc(N2CCC3(Cc4ncccc4[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wU:15.17,(-3.34,2.87,;-2.94,1.38,;-1.45,.98,;-1.05,-.51,;.44,-.91,;.83,-2.39,;2.32,-2.79,;3.41,-1.7,;4,-3.13,;5.54,-3,;6.65,-4.06,;8.13,-3.62,;8.49,-2.13,;7.37,-1.07,;5.89,-1.51,;4.58,-.7,;4.58,.84,;3.01,-.22,;1.52,.18,;-2.14,-1.6,;-1.74,-3.08,;-3.63,-1.2,;-4.72,-2.29,;-4.03,.29,;-5.51,.69,;-6.6,-.4,;-8.09,-0,;-8.49,1.49,;-7.4,2.57,;-7.8,4.06,;-5.91,2.18,;-4.82,3.26,)| Show InChI InChI=1S/C24H25Cl2N5O/c1-14-22(29-15(2)31(23(14)32)19-7-3-6-17(25)20(19)26)30-11-8-24(9-12-30)13-18-16(21(24)27)5-4-10-28-18/h3-7,10,21H,8-9,11-13,27H2,1-2H3/t21-/m0/s1 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged full length SHP2 expressed in Escherichia coli using DiFMUP as substrate measured aft... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00621
BindingDB Entry DOI: 10.7270/Q2ST7TFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM633161
(US20230348467, Compound 9)Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc(C(O)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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antibodypedia
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| PC cid
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UniChem
| | n/a | n/a | 1 | 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)) | BDBM633155
(US20230348467, Compound 5)Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc(C(N)=O)c2c(n[nH]c2n1)-c1cccc(Cl)c1Cl | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | 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)) | BDBM497078
(US11001561, Compound 66b | US11702392, Compound 66...)Show SMILES Cc1nc(N2CCC3(Cc4ncccc4[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wU:15.17,(-3.34,2.87,;-2.94,1.38,;-1.45,.98,;-1.05,-.51,;.44,-.91,;.83,-2.39,;2.32,-2.79,;3.41,-1.7,;4,-3.13,;5.54,-3,;6.65,-4.06,;8.13,-3.62,;8.49,-2.13,;7.37,-1.07,;5.89,-1.51,;4.58,-.7,;4.58,.84,;3.01,-.22,;1.52,.18,;-2.14,-1.6,;-1.74,-3.08,;-3.63,-1.2,;-4.72,-2.29,;-4.03,.29,;-5.51,.69,;-6.6,-.4,;-8.09,-0,;-8.49,1.49,;-7.4,2.57,;-7.8,4.06,;-5.91,2.18,;-4.82,3.26,)| Show InChI InChI=1S/C24H25Cl2N5O/c1-14-22(29-15(2)31(23(14)32)19-7-3-6-17(25)20(19)26)30-11-8-24(9-12-30)13-18-16(21(24)27)5-4-10-28-18/h3-7,10,21H,8-9,11-13,27H2,1-2H3/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2891B0Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM608512
((5P)-6-amino-2-[(1S)-1-amino-1,3- dihydrospiro[ind...)Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wD:1.0,(5.14,-.68,;4.37,-2.02,;5.4,-3.16,;6.94,-3.16,;7.71,-4.49,;6.94,-5.83,;5.4,-5.83,;4.63,-4.49,;3.12,-4.17,;2.96,-2.64,;1.63,-3.41,;.29,-2.64,;.29,-1.1,;1.63,-.33,;2.96,-1.1,;-1.04,-.33,;-1.04,1.21,;-2.37,1.98,;-2.37,3.52,;-3.71,1.21,;-5.04,1.98,;-6.37,1.21,;-7.71,1.98,;-7.71,3.52,;-6.37,4.29,;-6.37,5.83,;-5.04,3.52,;-3.71,4.29,;-3.71,-.33,;-2.37,-1.1,;-5.04,-1.1,;-5.04,-2.64,;-6.37,-.33,)| | PDB
MMDB
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KEGG
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UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2JS9VKW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM628573
(US20230339882, Example A59)Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1cccc(CC(N)=O)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM628710
(US20230339882, Example A74)Show SMILES Cc1cc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)ccc1C(N)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM628498
(US20230339882, Example A03)Show SMILES COc1cc(N)cc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)c1 | PDB
MMDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM527818
((2R,4R)-4-amino-8- (8-((2,3- dichlorophenyl)thio) ...)Show SMILES N[C@@H]1C[C@H](O)CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12 |r| | PDB
MMDB
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KEGG
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2D221SH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM628490
(US20230339882, Example A01 | US20230339882, Exampl...)Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1ccnc(N)c1 | PDB
MMDB
NCI pathway
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KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
| | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM636739
(US11827644, Example 3)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4ncco4)c3Cl)cn2)[C@@H]1N |r| | PDB
MMDB
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KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
| | n/a | n/a | 1.26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM636756
(US11827644, Example 20)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(-c4nc(co4)C(O)=O)c3Cl)cn2)[C@@H]1N |r| | PDB
MMDB
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KEGG
UniProtKB/SwissProt
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antibodypedia
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| PC cid
PC sid
UniChem
| | n/a | n/a | 1.27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM596379
(US11596633, Compound C)Show SMILES COc1nc(c(N)nc1N1CCC2(CO[C@@H](C)[C@H]2N)CC1)-c1cccc(Cl)c1Cl |r| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Objective: To demonstrate the inhibition of SHP2 activity with Compounds A, B, and C. Without wishing to be bound by theory, SHP is allosterically ac... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23T9N4W |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM628707
(US20230339882, Example A32)Show SMILES CN(CC#Cc1cnc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(CO)n1)c1ccc(cc1)S(N)(=O)=O | PDB
MMDB
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KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM636742
(US11827644, Example 6)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cccc(c3Cl)-c3cnccn3)cn2)[C@@H]1N |r| | PDB
MMDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| | n/a | n/a | 1.31 | 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)) | BDBM628553
(US20230339882, Example A49)Show SMILES COc1cc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)ccn1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.40 | 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)) | BDBM497106
(US11001561, Compound 81b | US11702392, Compound 81...)Show SMILES Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wU:17.20,(-7.45,-1.1,;-6.68,-2.44,;-5.14,-2.44,;-4.37,-3.77,;-2.83,-3.77,;-2.06,-5.1,;-.52,-5.1,;.25,-3.77,;-.52,-2.44,;-2.06,-2.44,;1.16,-2.53,;2.62,-3,;3.96,-2.23,;5.29,-3,;5.29,-4.54,;3.96,-5.31,;2.62,-4.54,;1.16,-5.02,;.68,-6.48,;-5.14,-5.1,;-4.37,-6.44,;-6.68,-5.1,;-7.45,-6.44,;-7.45,-3.77,;-8.99,-3.77,;-9.76,-2.44,;-11.3,-2.44,;-12.07,-3.77,;-11.3,-5.1,;-12.07,-6.44,;-9.76,-5.1,;-8.99,-6.44,)| Show InChI InChI=1S/C24H24Cl2N4O2/c1-14-22(28-15(2)30(23(14)31)18-8-5-7-17(25)20(18)26)29-12-10-24(11-13-29)21(27)16-6-3-4-9-19(16)32-24/h3-9,21H,10-13,27H2,1-2H3/t21-/m1/s1 | PDB
MMDB
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KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged full length SHP2 expressed in Escherichia coli using DiFMUP as substrate measured aft... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00621
BindingDB Entry DOI: 10.7270/Q2ST7TFF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM497105
(US11001561, Compound 81a | US11702392, Compound 81...)Show SMILES Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wD:17.20,(-7.45,-1.1,;-6.68,-2.44,;-5.14,-2.44,;-4.37,-3.77,;-2.83,-3.77,;-2.06,-5.1,;-.52,-5.1,;.25,-3.77,;-.52,-2.44,;-2.06,-2.44,;1.16,-2.53,;2.62,-3,;3.96,-2.23,;5.29,-3,;5.29,-4.54,;3.96,-5.31,;2.62,-4.54,;1.16,-5.02,;.68,-6.48,;-5.14,-5.1,;-4.37,-6.44,;-6.68,-5.1,;-7.45,-6.44,;-7.45,-3.77,;-8.99,-3.77,;-9.76,-2.44,;-11.3,-2.44,;-12.07,-3.77,;-11.3,-5.1,;-12.07,-6.44,;-9.76,-5.1,;-8.99,-6.44,)| Show InChI InChI=1S/C24H24Cl2N4O2/c1-14-22(28-15(2)30(23(14)31)18-8-5-7-17(25)20(18)26)29-12-10-24(11-13-29)21(27)16-6-3-4-9-19(16)32-24/h3-9,21H,10-13,27H2,1-2H3/t21-/m0/s1 | PDB
MMDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| PC cid
PC sid
UniChem
| | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2891B0Q |
More data for this
Ligand-Target Pair | |
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