Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Smoothened homolog | ||
| Ligand | BDBM50293788 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_572237 (CHEMBL1031015) | ||
| IC50 | 1.4±n/a nM | ||
| Citation |  Tremblay, MR; Lescarbeau, A; Grogan, MJ; Tan, E; Lin, G; Austad, BC; Yu, LC; Behnke, ML; Nair, SJ; Hagel, M; White, K; Conley, J; Manna, JD; Alvarez-Diez, TM; Hoyt, J; Woodward, CN; Sydor, JR; Pink, M; MacDougall, J; Campbell, MJ; Cushing, J; Ferguson, J; Curtis, MS; McGovern, K; Read, MA; Palombella, VJ; Adams, J; Castro, AC Discovery of a potent and orally active hedgehog pathway antagonist (IPI-926). J Med Chem52:4400-18 (2009) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Smoothened homolog | |||
| Name: | Smoothened homolog | ||
| Synonyms: | G-protein- coupled-like receptor Smoothened (Smo) | SMO | SMOH | SMO_HUMAN | Smoothened homolog | ||
| Type: | Protein | ||
| Mol. Mass.: | 86415.51 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q99835 | ||
| Residue: | 787 | ||
| Sequence: |
| ||
| BDBM50293788 | |||
| n/a | |||
| Name | BDBM50293788 | ||
| Synonyms: | CHEMBL538867 | N-((2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-3,6,11',12b'-tetramethyl-2',3a,3',4,4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'H,3H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulene]-3'-yl)methanesulfonamide | US10314827, Compound 42 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H48N2O3S | ||
| Mol. Mass. | 504.768 | ||
| SMILES | C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)NS(C)(=O)=O |r,t:31| | ||
| Structure | 
| ||