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PubMed code 8676336

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50050962
PNG
(2-{4-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamin...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(N)=O
Show InChI InChI=1S/C36H48FN7O18/c1-15(2)11-21(28(38)52)42-32(56)22(12-18-5-7-19(8-6-18)62-36(37,34(58)59)35(60)61)44-30(54)20(9-10-25(46)47)41-33(57)24(14-27(50)51)43-29(53)16(3)39-31(55)23(13-26(48)49)40-17(4)45/h5-8,15-16,20-24H,9-14H2,1-4H3,(H2,38,52)(H,39,55)(H,40,45)(H,41,57)(H,42,56)(H,43,53)(H,44,54)(H,46,47)(H,48,49)(H,50,51)(H,58,59)(H,60,61)/t16-,20-,21-,22-,23-,24-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein-tyrosine phosphatase 1B-mediated dephosphorylation of phosphorylated insulin receptor using (CHO) cell line trans...


J Med Chem 39: 1021-7 (1996)


Article DOI: 10.1021/jm950621g
BindingDB Entry DOI: 10.7270/Q2F76BMJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50050961
PNG
(2-{4-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamin...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(N)=O
Show InChI InChI=1S/C36H49N7O18/c1-15(2)11-21(29(37)51)41-33(55)22(12-18-5-7-19(8-6-18)61-28(35(57)58)36(59)60)43-31(53)20(9-10-25(45)46)40-34(56)24(14-27(49)50)42-30(52)16(3)38-32(54)23(13-26(47)48)39-17(4)44/h5-8,15-16,20-24,28H,9-14H2,1-4H3,(H2,37,51)(H,38,54)(H,39,44)(H,40,56)(H,41,55)(H,42,52)(H,43,53)(H,45,46)(H,47,48)(H,49,50)(H,57,58)(H,59,60)/t16-,20-,21-,22-,23-,24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein-tyrosine phosphatase 1B-mediated dephosphorylation of phosphorylated insulin receptor using (CHO) cell line trans...


J Med Chem 39: 1021-7 (1996)


Article DOI: 10.1021/jm950621g
BindingDB Entry DOI: 10.7270/Q2F76BMJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%