BDBM50249188 Alphitolic acid::CHEMBL511805
SMILES: CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
InChI Key: InChIKey=PFCVZKFJHRCLCC-PGOIBATFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Zinc finger protein GLI1 (Homo sapiens (Human)) | BDBM50249188 (Alphitolic acid | CHEMBL511805) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of Gli1-mediated transcription expressed in human PANC1 cells | J Med Chem 52: 3829-45 (2009) Article DOI: 10.1021/jm801420y BindingDB Entry DOI: 10.7270/Q22N536M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear factor NF-kappa-B (Homo sapiens (Human)) | BDBM50249188 (Alphitolic acid | CHEMBL511805) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Ohio State University Curated by ChEMBL | Assay Description Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA | Bioorg Med Chem 26: 4452-4460 (2018) Article DOI: 10.1016/j.bmc.2018.07.025 BindingDB Entry DOI: 10.7270/Q2N300MM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Zinc finger protein GLI1 (Homo sapiens (Human)) | BDBM50249188 (Alphitolic acid | CHEMBL511805) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiba University Curated by ChEMBL | Assay Description Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay | Bioorg Med Chem 16: 9420-4 (2008) Article DOI: 10.1016/j.bmc.2008.09.053 BindingDB Entry DOI: 10.7270/Q2Q52QH1 | |||||||||||
More data for this Ligand-Target Pair |