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BDBM13986 2-{4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}carbamoyl)ethyl]phenoxy}acetic acid::CHEMBL106109::phosphotyrosyl mimetic 17

SMILES: COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)cc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=IKOXRHVKSOJWLA-FQEVSTJZSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 13986   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
T-cell protein-tyrosine phosphatase


(Homo sapiens (Human))
BDBM13986
PNG
(2-{4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-({4-...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C28H36N2O10/c1-28(2,3)40-27(36)30-20(16-18-10-12-19(13-11-18)39-17-23(32)33)25(34)29-14-5-6-15-38-22-9-7-8-21(31)24(22)26(35)37-4/h7-13,20,31H,5-6,14-17H2,1-4H3,(H,29,34)(H,30,36)(H,32,33)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.00E+5>-4.99n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...


Bioorg Med Chem Lett 13: 3947-50 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.064
BindingDB Entry DOI: 10.7270/Q22R3PXB
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM13986
PNG
(2-{4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-({4-...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C28H36N2O10/c1-28(2,3)40-27(36)30-20(16-18-10-12-19(13-11-18)39-17-23(32)33)25(34)29-14-5-6-15-38-22-9-7-8-21(31)24(22)26(35)37-4/h7-13,20,31H,5-6,14-17H2,1-4H3,(H,29,34)(H,30,36)(H,32,33)/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-cell Protein Tyrosine Phosphatase (TCPTP)


Bioorg Med Chem Lett 13: 3129-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00725-x
BindingDB Entry DOI: 10.7270/Q24B30QV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13986
PNG
(2-{4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-({4-...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C28H36N2O10/c1-28(2,3)40-27(36)30-20(16-18-10-12-19(13-11-18)39-17-23(32)33)25(34)29-14-5-6-15-38-22-9-7-8-21(31)24(22)26(35)37-4/h7-13,20,31H,5-6,14-17H2,1-4H3,(H,29,34)(H,30,36)(H,32,33)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.20E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein-tyrosine phosphatase 1B (PTP1B)


Bioorg Med Chem Lett 13: 3129-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00725-x
BindingDB Entry DOI: 10.7270/Q24B30QV
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13986
PNG
(2-{4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-({4-...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C28H36N2O10/c1-28(2,3)40-27(36)30-20(16-18-10-12-19(13-11-18)39-17-23(32)33)25(34)29-14-5-6-15-38-22-9-7-8-21(31)24(22)26(35)37-4/h7-13,20,31H,5-6,14-17H2,1-4H3,(H,29,34)(H,30,36)(H,32,33)/t20-/m0/s1
PDB
MMDB

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

Similars

Article
PubMed
2.20E+5 -4.94n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...


Bioorg Med Chem Lett 13: 3947-50 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.064
BindingDB Entry DOI: 10.7270/Q22R3PXB
More data for this
Ligand-Target Pair