BDBM50289902 2-[3-Oxo-3-phenyl-1-((4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-ylmethyl)-propyl]-malonic acid::CHEMBL61909
SMILES: CC1=C(CC(CC(=O)c2ccccc2)C(C(O)=O)C(O)=O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1
InChI Key: InChIKey=ZYOKZHUAKFOOGA-PVHKUYRHSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
phosphatase Cdc25 (Homo sapiens (Human)) | BDBM50289902![]() (2-[3-Oxo-3-phenyl-1-((4aS,8aS)-2,5,5,8a-tetramethy...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article | n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Concentration required for its inhibitory activity against Cdc25A phosphatase | Bioorg Med Chem Lett 7: 2015-2020 (1997) Article DOI: 10.1016/S0960-894X(97)00357-0 BindingDB Entry DOI: 10.7270/Q28S4PXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50289902![]() (2-[3-Oxo-3-phenyl-1-((4aS,8aS)-2,5,5,8a-tetramethy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article | n/a | n/a | 6.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Concentration required for its inhibitory activity against PTB1B phosphatase | Bioorg Med Chem Lett 7: 2015-2020 (1997) Article DOI: 10.1016/S0960-894X(97)00357-0 BindingDB Entry DOI: 10.7270/Q28S4PXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human)) | BDBM50289902![]() (2-[3-Oxo-3-phenyl-1-((4aS,8aS)-2,5,5,8a-tetramethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article | n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Concentration required for its inhibitory activity against VHR phosphatase | Bioorg Med Chem Lett 7: 2015-2020 (1997) Article DOI: 10.1016/S0960-894X(97)00357-0 BindingDB Entry DOI: 10.7270/Q28S4PXX | |||||||||||
More data for this Ligand-Target Pair |