BDBM50057665 CHEMBL3322848
SMILES: COc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
InChI Key: InChIKey=GPLFWBNRPRIWRG-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50057665 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)) | BDBM50057665
(CHEMBL3322848)Show SMILES COc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C22H15N5O7S/c1-33-17-4-2-3-14(11-17)20(28)23-22-25-24-21(35-22)13-5-8-16(9-6-13)34-19-10-7-15(26(29)30)12-18(19)27(31)32/h2-12H,1H3,(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
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.30 | 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)) | BDBM50057665
(CHEMBL3322848)Show SMILES COc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C22H15N5O7S/c1-33-17-4-2-3-14(11-17)20(28)23-22-25-24-21(35-22)13-5-8-16(9-6-13)34-19-10-7-15(26(29)30)12-18(19)27(31)32/h2-12H,1H3,(H,23,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.10 | 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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