BDBM64788 4-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-(4-nitrophenyl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one::5-methyl-4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one::5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one::MLS000592130::SMR000218378::cid_2251550
SMILES: Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(cc1)[N+]([O-])=O
InChI Key: InChIKey=KFOMNSILEPOUOI-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PPP5C protein (Homo sapiens (Human)) | BDBM64788 (4-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-(4-...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 9.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23T9FN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
protein phosphatase 1, catalytic subunit, alpha isoform 3 (Homo sapiens (Human)) | BDBM64788 (4-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-(4-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27M06CD | |||||||||||
More data for this Ligand-Target Pair |