BDBM459202 2-[1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenteno[c]furan5-oxy)-2-(2-methoxyphenyl)ethyl)-5-methyl-6-oxazol-2-yl-2,4-dioxo-thieno[2,3-d]pyrimid-3-yl]-2-methyl-propanoic acid::US10759812, Example 13
SMILES: COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CC2COCC2C1
InChI Key: InChIKey=RSQXZBGTONJBGQ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetyl-CoA carboxylase 2 (Homo sapiens (Human)) | BDBM459202 (2-[1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenteno[c...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 4.24 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunshine Lake Pharma Co., Ltd. US Patent | Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp... | US Patent US10759812 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetyl-CoA carboxylase 1 (Homo sapiens (Human)) | BDBM459202 (2-[1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenteno[c...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.76 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunshine Lake Pharma Co., Ltd. US Patent | Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp... | US Patent US10759812 (2020) | |||||||||||
More data for this Ligand-Target Pair |