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BDBM50132463 2-[4-((S)-2-tert-Butoxycarbonylamino-3-{4-[(2-carboxy-2-phenyl-ethyl)-oxalyl-amino]-phenyl}-propionylamino)-butoxy]-6-hydroxy-benzoic acid methyl ester::CHEMBL322726

SMILES: COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(cc1)N(CC(C(O)=O)c1ccccc1)C(=O)C(O)=O)NC(=O)OC(C)(C)C

InChI Key: InChIKey=SANMLOZPJODERW-GEVKEYJPSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50132463   
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))
BDBM50132463
PNG
(2-[4-((S)-2-tert-Butoxycarbonylamino-3-{4-[(2-carb...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(cc1)N(CC(C(O)=O)c1ccccc1)C(=O)C(O)=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H43N3O12/c1-37(2,3)52-36(49)39-27(31(42)38-19-8-9-20-51-29-14-10-13-28(41)30(29)35(48)50-4)21-23-15-17-25(18-16-23)40(32(43)34(46)47)22-26(33(44)45)24-11-6-5-7-12-24/h5-7,10-18,26-27,41H,8-9,19-22H2,1-4H3,(H,38,42)(H,39,49)(H,44,45)(H,46,47)/t26?,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.52E+4n/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))
BDBM50132463
PNG
(2-[4-((S)-2-tert-Butoxycarbonylamino-3-{4-[(2-carb...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(cc1)N(CC(C(O)=O)c1ccccc1)C(=O)C(O)=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H43N3O12/c1-37(2,3)52-36(49)39-27(31(42)38-19-8-9-20-51-29-14-10-13-28(41)30(29)35(48)50-4)21-23-15-17-25(18-16-23)40(32(43)34(46)47)22-26(33(44)45)24-11-6-5-7-12-24/h5-7,10-18,26-27,41H,8-9,19-22H2,1-4H3,(H,38,42)(H,39,49)(H,44,45)(H,46,47)/t26?,27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.78E+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