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BDBM50132466 2-[4-((S)-2-tert-Butoxycarbonylamino-3-{4-[(2-carboxy-propyl)-oxalyl-amino]-phenyl}-propionylamino)-butoxy]-6-hydroxy-benzoic acid methyl ester::CHEMBL108473

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

InChI Key: InChIKey=JLBORDITBUFFMT-BPARTEKVSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50132466   
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))
BDBM50132466
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)C(O)=O)C(=O)C(O)=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C32H41N3O12/c1-19(28(39)40)18-35(27(38)29(41)42)21-13-11-20(12-14-21)17-22(34-31(44)47-32(2,3)4)26(37)33-15-6-7-16-46-24-10-8-9-23(36)25(24)30(43)45-5/h8-14,19,22,36H,6-7,15-18H2,1-5H3,(H,33,37)(H,34,44)(H,39,40)(H,41,42)/t19?,22-/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
3.20E+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))
BDBM50132466
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)C(O)=O)C(=O)C(O)=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C32H41N3O12/c1-19(28(39)40)18-35(27(38)29(41)42)21-13-11-20(12-14-21)17-22(34-31(44)47-32(2,3)4)26(37)33-15-6-7-16-46-24-10-8-9-23(36)25(24)30(43)45-5/h8-14,19,22,36H,6-7,15-18H2,1-5H3,(H,33,37)(H,34,44)(H,39,40)(H,41,42)/t19?,22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.67E+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