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BDBM50132458 2-[4-((S)-2-tert-Butoxycarbonylamino-3-{4-[(2-carboxy-ethyl)-oxalyl-amino]-phenyl}-propionylamino)-butoxy]-6-hydroxy-benzoic acid methyl ester::CHEMBL104821

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

InChI Key: InChIKey=IMHMKGPHRKOUQG-NRFANRHFSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50132458   
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))
BDBM50132458
PNG
(2-[4-((S)-2-tert-Butoxycarbonylamino-3-{4-[(2-carb...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(cc1)N(CCC(O)=O)C(=O)C(O)=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H39N3O12/c1-31(2,3)46-30(43)33-21(18-19-10-12-20(13-11-19)34(16-14-24(36)37)27(39)28(40)41)26(38)32-15-5-6-17-45-23-9-7-8-22(35)25(23)29(42)44-4/h7-13,21,35H,5-6,14-18H2,1-4H3,(H,32,38)(H,33,43)(H,36,37)(H,40,41)/t21-/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
>2.00E+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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50132458
PNG
(2-[4-((S)-2-tert-Butoxycarbonylamino-3-{4-[(2-carb...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(cc1)N(CCC(O)=O)C(=O)C(O)=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H39N3O12/c1-31(2,3)46-30(43)33-21(18-19-10-12-20(13-11-19)34(16-14-24(36)37)27(39)28(40)41)26(38)32-15-5-6-17-45-23-9-7-8-22(35)25(23)29(42)44-4/h7-13,21,35H,5-6,14-18H2,1-4H3,(H,32,38)(H,33,43)(H,36,37)(H,40,41)/t21-/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