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BDBM50132464 2-(4-{2-tert-Butoxycarbonylamino-3-[4-(carbamoyl-carboxy-methoxy)-phenyl]-propionylamino}-butoxy)-6-hydroxy-benzoic acid methyl ester::CHEMBL325319

SMILES: COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(OC(C(N)=O)C(O)=O)cc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=MKMJHDXFAKQELV-UHFFFAOYSA-N

Data: 2 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50132464   
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))
BDBM50132464
PNG
(2-(4-{2-tert-Butoxycarbonylamino-3-[4-(carbamoyl-c...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(OC(C(N)=O)C(O)=O)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C29H37N3O11/c1-29(2,3)43-28(39)32-19(16-17-10-12-18(13-11-17)42-23(24(30)34)26(36)37)25(35)31-14-5-6-15-41-21-9-7-8-20(33)22(21)27(38)40-4/h7-13,19,23,33H,5-6,14-16H2,1-4H3,(H2,30,34)(H,31,35)(H,32,39)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.38E+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
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50132464
PNG
(2-(4-{2-tert-Butoxycarbonylamino-3-[4-(carbamoyl-c...)
Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(OC(C(N)=O)C(O)=O)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C29H37N3O11/c1-29(2,3)43-28(39)32-19(16-17-10-12-18(13-11-17)42-23(24(30)34)26(36)37)25(35)31-14-5-6-15-41-21-9-7-8-20(33)22(21)27(38)40-4/h7-13,19,23,33H,5-6,14-16H2,1-4H3,(H2,30,34)(H,31,35)(H,32,39)(H,36,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.95E+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