BDBM50068976 CHEMBL3402417
SMILES: Brc1ccc(Br)c(c1)C(=O)OCCCCCCOc1ccc(cc1)C(=O)OC1CSSC1
InChI Key: InChIKey=ORHZAHXENVKNIR-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50068976 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 |
|---|
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50068976
(CHEMBL3402417)Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCCCCCOc1ccc(cc1)C(=O)OC1CSSC1 Show InChI InChI=1S/C23H24Br2O5S2/c24-17-7-10-21(25)20(13-17)23(27)29-12-4-2-1-3-11-28-18-8-5-16(6-9-18)22(26)30-19-14-31-32-15-19/h5-10,13,19H,1-4,11-12,14-15H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP (unknown origin) |
Bioorg Med Chem Lett 25: 2211-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM50068976
(CHEMBL3402417)Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCCCCCOc1ccc(cc1)C(=O)OC1CSSC1 Show InChI InChI=1S/C23H24Br2O5S2/c24-17-7-10-21(25)20(13-17)23(27)29-12-4-2-1-3-11-28-18-8-5-16(6-9-18)22(26)30-19-14-31-32-15-19/h5-10,13,19H,1-4,11-12,14-15H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B (unknown origin) |
Bioorg Med Chem Lett 25: 2211-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7 |
More data for this
Ligand-Target Pair | |
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