BDBM50374280 CHEMBL403411
SMILES: O[C@@H]1[C@H]2[C@@H]3[C@@H](Oc4ccccc24)c2cccc(O)c2-c2c(O)cc(O)c(C1=O)c32
InChI Key: InChIKey=JFOHOILWNMBZGW-QSABTFIQSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50374280 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM50374280
(CHEMBL403411)Show SMILES O[C@@H]1[C@H]2[C@@H]3[C@@H](Oc4ccccc24)c2cccc(O)c2-c2c(O)cc(O)c(C1=O)c32 Show InChI InChI=1S/C23H16O6/c24-11-6-3-5-10-15(11)17-12(25)8-13(26)18-19(17)20-16(21(27)22(18)28)9-4-1-2-7-14(9)29-23(10)20/h1-8,16,20-21,23-27H/t16-,20+,21-,23+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human PTP1B expressed in Escherichia coli using pNPP substrate assessed as reduction in p-nitrophenol release |
J Nat Prod 79: 1063-72 (2016)
Article DOI: 10.1021/acs.jnatprod.5b01128 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM50374280
(CHEMBL403411)Show SMILES O[C@@H]1[C@H]2[C@@H]3[C@@H](Oc4ccccc24)c2cccc(O)c2-c2c(O)cc(O)c(C1=O)c32 Show InChI InChI=1S/C23H16O6/c24-11-6-3-5-10-15(11)17-12(25)8-13(26)18-19(17)20-16(21(27)22(18)28)9-4-1-2-7-14(9)29-23(10)20/h1-8,16,20-21,23-27H/t16-,20+,21-,23+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Silla University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B |
Bioorg Med Chem Lett 18: 772-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.036
BindingDB Entry DOI: 10.7270/Q25B03BB |
More data for this
Ligand-Target Pair | |
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