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BDBM50132462 5-{(S)-2-tert-Butoxycarbonylamino-2-[4-(2-methoxycarbonyl-3-hydroxy-phenoxy)-butylcarbamoyl]-ethyl}-2-carboxymethoxy-benzoic acid::CHEMBL107672

SMILES: COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)OC(C)(C)C

InChI Key: InChIKey=DRQXKGKHOSMCBP-IBGZPJMESA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50132462   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50132462
PNG
(5-{(S)-2-tert-Butoxycarbonylamino-2-[4-(2-methoxyc...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C29H36N2O12/c1-29(2,3)43-28(39)31-19(15-17-10-11-21(42-16-23(33)34)18(14-17)26(36)37)25(35)30-12-5-6-13-41-22-9-7-8-20(32)24(22)27(38)40-4/h7-11,14,19,32H,5-6,12-13,15-16H2,1-4H3,(H,30,35)(H,31,39)(H,33,34)(H,36,37)/t19-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50132462
PNG
(5-{(S)-2-tert-Butoxycarbonylamino-2-[4-(2-methoxyc...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C29H36N2O12/c1-29(2,3)43-28(39)31-19(15-17-10-11-21(42-16-23(33)34)18(14-17)26(36)37)25(35)30-12-5-6-13-41-22-9-7-8-20(32)24(22)27(38)40-4/h7-11,14,19,32H,5-6,12-13,15-16H2,1-4H3,(H,30,35)(H,31,39)(H,33,34)(H,36,37)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10E+3n/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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50132462
PNG
(5-{(S)-2-tert-Butoxycarbonylamino-2-[4-(2-methoxyc...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C29H36N2O12/c1-29(2,3)43-28(39)31-19(15-17-10-11-21(42-16-23(33)34)18(14-17)26(36)37)25(35)30-12-5-6-13-41-22-9-7-8-20(32)24(22)27(38)40-4/h7-11,14,19,32H,5-6,12-13,15-16H2,1-4H3,(H,30,35)(H,31,39)(H,33,34)(H,36,37)/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.00E+4n/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