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BDBM50132467 2-[4-((S)-2-tert-Butoxycarbonylamino-3-{4-[(1-carboxymethyl-propyl)-oxalyl-amino]-phenyl}-propionylamino)-butoxy]-6-hydroxy-benzoic acid methyl ester::CHEMBL323498

SMILES: CCC(CC(O)=O)N(C(=O)C(O)=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1

InChI Key: InChIKey=FSLOOOOENSTQRF-YANBTOMASA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50132467   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50132467
PNG
(2-[4-((S)-2-tert-Butoxycarbonylamino-3-{4-[(1-carb...)
Show SMILES CCC(CC(O)=O)N(C(=O)C(O)=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1
Show InChI InChI=1S/C33H43N3O12/c1-6-21(19-26(38)39)36(29(41)30(42)43)22-14-12-20(13-15-22)18-23(35-32(45)48-33(2,3)4)28(40)34-16-7-8-17-47-25-11-9-10-24(37)27(25)31(44)46-5/h9-15,21,23,37H,6-8,16-19H2,1-5H3,(H,34,40)(H,35,45)(H,38,39)(H,42,43)/t21?,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.30E+3n/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))
BDBM50132467
PNG
(2-[4-((S)-2-tert-Butoxycarbonylamino-3-{4-[(1-carb...)
Show SMILES CCC(CC(O)=O)N(C(=O)C(O)=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1
Show InChI InChI=1S/C33H43N3O12/c1-6-21(19-26(38)39)36(29(41)30(42)43)22-14-12-20(13-15-22)18-23(35-32(45)48-33(2,3)4)28(40)34-16-7-8-17-47-25-11-9-10-24(37)27(25)31(44)46-5/h9-15,21,23,37H,6-8,16-19H2,1-5H3,(H,34,40)(H,35,45)(H,38,39)(H,42,43)/t21?,23-/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
1.80E+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