BDBM50057663 CHEMBL3322845
SMILES: Cc1ccccc1C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
InChI Key: InChIKey=WMVTVQQDHAKAPD-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50057663 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)) | BDBM50057663
(CHEMBL3322845)Show SMILES Cc1ccccc1C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C22H15N5O6S/c1-13-4-2-3-5-17(13)20(28)23-22-25-24-21(34-22)14-6-9-16(10-7-14)33-19-11-8-15(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
Similars
| Article PubMed
| n/a | n/a | 4 | 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)) | BDBM50057663
(CHEMBL3322845)Show SMILES Cc1ccccc1C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C22H15N5O6S/c1-13-4-2-3-5-17(13)20(28)23-22-25-24-21(34-22)14-6-9-16(10-7-14)33-19-11-8-15(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
Similars
| Article PubMed
| n/a | n/a | 3.10 | 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 | |