BDBM114299 (3R,6S)-1-acetyl-3-(1H-indol-3-yl)-N-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-6-carboxamide::(3R,6S)-1-acetyl-3-(1H-indol-3-yl)-N-tosyl-3,6-dihydro-2H-pyridine-6-carboxamide::(3R,6S)-1-ethanoyl-3-(1H-indol-3-yl)-N-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-6-carboxamide::MLS003874092::SMR002530747::cid_60156651
SMILES: CC(=O)N1C[C@H](C=C[C@H]1C(=O)NS(=O)(=O)c1ccc(C)cc1)c1c[nH]c2ccccc12
InChI Key: InChIKey=WEMLBQXERQWONS-JTSKRJEESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T] (Homo sapiens (Human)) | BDBM114299 ((3R,6S)-1-acetyl-3-(1H-indol-3-yl)-N-(4-methylphen...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 4.54E+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 Ass... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2NC5ZV0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3 (Homo sapiens (Human)) | BDBM114299 ((3R,6S)-1-acetyl-3-(1H-indol-3-yl)-N-(4-methylphen...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.22E+5 | 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 Ass... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2S46QKQ | |||||||||||
More data for this Ligand-Target Pair |