Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Acetylcholine-binding protein | ||
| Ligand | BDBM50417092 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_665337 (CHEMBL1261014) | ||
| Kd | 437±n/a nM | ||
| Citation |  de Kloe, GE; Retra, K; Geitmann, M; Källblad, P; Nahar, T; van Elk, R; Smit, AB; van Muijlwijk-Koezen, JE; Leurs, R; Irth, H; Danielson, UH; de Esch, IJ Surface plasmon resonance biosensor based fragment screening using acetylcholine binding protein identifies ligand efficiency hot spots (LE hot spots) by deconstruction of nicotinic acetylcholine receptora7 ligands. J Med Chem53:7192-201 (2010) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Acetylcholine-binding protein | |||
| Name: | Acetylcholine-binding protein | ||
| Synonyms: | ACHP_LYMST | ACh-binding protein | Acetylcholine Binding protein | Acetylcholine-binding protein (AchBP) | Acetylcholine-binding protein (Ls-AchBP) | AchBP | ||
| Type: | n/a | ||
| Mol. Mass.: | 26055.52 | ||
| Organism: | Lymnaea stagnalis | ||
| Description: | Soluble acetylcholine receptor | ||
| Residue: | 229 | ||
| Sequence: |
| ||
| BDBM50417092 | |||
| n/a | |||
| Name | BDBM50417092 | ||
| Synonyms: | CHEMBL1258241 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H23BrN4O | ||
| Mol. Mass. | 415.327 | ||
| SMILES | Brc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1 |r,wU:9.8,wD:16.18,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(.24,-7.48,;-1.08,-6.7,;-2.43,-7.45,;-3.75,-6.66,;-3.73,-5.12,;-5.05,-4.33,;-6.39,-5.08,;-6.41,-6.62,;-7.72,-4.3,;-9.06,-5.05,;-10.53,-4.41,;-11.89,-5.02,;-12.17,-6.41,;-10.79,-5.78,;-11.05,-3.87,;-10.6,-2.77,;-9.26,-6.43,;-8.5,-7.77,;-9.28,-9.1,;-10.82,-9.08,;-11.61,-10.4,;-10.84,-11.74,;-9.29,-11.75,;-8.52,-10.43,;-2.39,-4.37,;-1.07,-5.15,)| | ||
| Structure | 
| ||