BDBM50394562 ERISMODEGIB::LDE225::N-(6-((2S,6R)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)biphenyl-3-carboxamide::Odomzo::sonidegib::sonidegib phosphate
SMILES: C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(c2C)-c2ccc(OC(F)(F)F)cc2)cn1
InChI Key: InChIKey=VZZJRYRQSPEMTK-CALCHBBNSA-N
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 |
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G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human)) | BDBM50394562 (ERISMODEGIB | LDE225 | N-(6-((2S,6R)-2,6-dimethylm...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem | DrugBank Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University Medical Center Curated by ChEMBL | Assay Description Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting | Bioorg Med Chem 20: 6751-7 (2012) Article DOI: 10.1016/j.bmc.2012.09.030 BindingDB Entry DOI: 10.7270/Q22N53CV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sonic hedgehog protein (Mus musculus (Mouse)) | BDBM50394562 (ERISMODEGIB | LDE225 | N-(6-((2S,6R)-2,6-dimethylm...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu Simcere Pharmaceutical Co. Ltd Curated by ChEMBL | Assay Description Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay | Bioorg Med Chem Lett 23: 6777-83 (2013) Article DOI: 10.1016/j.bmcl.2013.10.022 BindingDB Entry DOI: 10.7270/Q2R49S7W | |||||||||||
More data for this Ligand-Target Pair |