Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50323213' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50323213
(CHEMBL1208973 | cupressuflavone)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1 |(5.18,-39.53,;3.84,-40.3,;3.85,-41.86,;2.51,-42.63,;1.18,-41.86,;1.18,-40.31,;2.51,-39.54,;-.15,-42.62,;-.15,-44.15,;-1.48,-44.92,;-1.48,-46.46,;-2.8,-44.15,;-4.14,-44.93,;-4.14,-46.48,;-5.47,-44.16,;-5.47,-42.62,;-6.8,-41.84,;-4.13,-41.86,;-4.13,-35.97,;-5.46,-35.2,;-6.8,-35.97,;-5.46,-33.67,;-4.13,-32.9,;-4.13,-31.36,;-2.8,-33.65,;-2.79,-35.2,;-1.45,-35.97,;-.11,-35.19,;-.12,-33.64,;-1.46,-32.87,;-1.46,-31.33,;1.21,-35.96,;1.22,-37.5,;2.55,-38.27,;3.88,-37.5,;5.22,-38.27,;3.88,-35.96,;2.55,-35.19,;-2.8,-42.62,;-1.48,-41.85,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50323213
(CHEMBL1208973 | cupressuflavone)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1 |(5.18,-39.53,;3.84,-40.3,;3.85,-41.86,;2.51,-42.63,;1.18,-41.86,;1.18,-40.31,;2.51,-39.54,;-.15,-42.62,;-.15,-44.15,;-1.48,-44.92,;-1.48,-46.46,;-2.8,-44.15,;-4.14,-44.93,;-4.14,-46.48,;-5.47,-44.16,;-5.47,-42.62,;-6.8,-41.84,;-4.13,-41.86,;-4.13,-35.97,;-5.46,-35.2,;-6.8,-35.97,;-5.46,-33.67,;-4.13,-32.9,;-4.13,-31.36,;-2.8,-33.65,;-2.79,-35.2,;-1.45,-35.97,;-.11,-35.19,;-.12,-33.64,;-1.46,-32.87,;-1.46,-31.33,;1.21,-35.96,;1.22,-37.5,;2.55,-38.27,;3.88,-37.5,;5.22,-38.27,;3.88,-35.96,;2.55,-35.19,;-2.8,-42.62,;-1.48,-41.85,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description Competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 ... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this Ligand-Target Pair | |