BDBM50057672 CHEMBL3322857
SMILES: [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)Cc3ccccc3)s2)c(c1)[N+]([O-])=O
InChI Key: InChIKey=YRBYORGBAIIWDT-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50057672 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)) | BDBM50057672
(CHEMBL3322857)Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)Cc3ccccc3)s2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C22H15N5O6S/c28-20(12-14-4-2-1-3-5-14)23-22-25-24-21(34-22)15-6-9-17(10-7-15)33-19-11-8-16(26(29)30)13-18(19)27(31)32/h1-11,13H,12H2,(H,23,25,28) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Liaoning Normal University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B (unknown origin) |
Bioorg Med Chem Lett 24: 4125-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR |
More data for this
Ligand-Target Pair | |
Dual specificity phosphatase Cdc25B
(Homo sapiens (Human)) | BDBM50057672
(CHEMBL3322857)Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)Cc3ccccc3)s2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C22H15N5O6S/c28-20(12-14-4-2-1-3-5-14)23-22-25-24-21(34-22)15-6-9-17(10-7-15)33-19-11-8-16(26(29)30)13-18(19)27(31)32/h1-11,13H,12H2,(H,23,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Liaoning Normal University
Curated by ChEMBL
| Assay Description
Inhibition of Cdc25B (unknown origin) |
Bioorg Med Chem Lett 24: 4125-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.055
BindingDB Entry DOI: 10.7270/Q2MP54XR |
More data for this
Ligand-Target Pair | |
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