Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Lysine-specific histone demethylase 1A | ||
| Ligand | BDBM50262052 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1696557 (CHEMBL4047447) | ||
| IC50 | 210±n/a nM | ||
| Citation |  Mould, DP; Bremberg, U; Jordan, AM; Geitmann, M; McGonagle, AE; Somervaille, TCP; Spencer, GJ; Ogilvie, DJ Development and evaluation of 4-(pyrrolidin-3-yl)benzonitrile derivatives as inhibitors of lysine specific demethylase 1. Bioorg Med Chem Lett27:4755-4759 (2017) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Lysine-specific histone demethylase 1A | |||
| Name: | Lysine-specific histone demethylase 1A | ||
| Synonyms: | AOF2 | BRAF35-HDAC complex protein BHC110 | Flavin-containing amine oxidase domain-containing protein 2 | KDM1 | KDM1A | KDM1A_HUMAN | KIAA0601 | LSD1 | Lysine-specific demethylase 1 (LSD1) | Lysine-specific histone demethylase 1 | Lysine-specific histone demethylase 1 (LSD1) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 92901.01 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | O60341 | ||
| Residue: | 852 | ||
| Sequence: |
| ||
| BDBM50262052 | |||
| n/a | |||
| Name | BDBM50262052 | ||
| Synonyms: | CHEMBL4066130 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H31N5O | ||
| Mol. Mass. | 441.5679 | ||
| SMILES | Cn1ncc2cc(ccc12)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:25.28,14.17,wD:10.11,28.32,(69.23,-20.88,;69.38,-22.41,;70.71,-23.2,;70.37,-24.71,;68.83,-24.85,;67.91,-26.09,;66.38,-25.9,;65.77,-24.49,;66.68,-23.26,;68.22,-23.44,;65.45,-27.14,;65.91,-28.61,;64.65,-29.51,;63.42,-28.58,;63.91,-27.12,;63.02,-25.86,;63.66,-24.46,;62.78,-23.2,;61.24,-23.35,;60.59,-24.74,;61.49,-26,;60.36,-22.09,;59.46,-20.82,;64.63,-31.05,;63.29,-31.8,;65.96,-31.83,;67.29,-31.07,;68.61,-31.86,;68.6,-33.4,;69.92,-34.18,;69.9,-35.72,;67.25,-34.15,;65.94,-33.36,)| | ||
| Structure | 
| ||