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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Potassium voltage-gated channel subfamily H member 2 | ||
| Ligand | BDBM50325851 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_652661 (CHEMBL1225864) | ||
| IC50 | >33000±n/a nM | ||
| Citation |  Brugel, TA; Smith, RW; Balestra, M; Becker, C; Daniels, T; Koether, GM; Throner, SR; Panko, LM; Brown, DG; Liu, R; Gordon, J; Peters, MF SAR development of a series of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as kappa opioid receptor antagonists. Part 2. Bioorg Med Chem Lett20:5405-10 (2010) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Potassium voltage-gated channel subfamily H member 2 | |||
| Name: | Potassium voltage-gated channel subfamily H member 2 | ||
| Synonyms: | 1,3-beta-glucan synthase component GLS2 | Cytochrome P450 3A4 | ERG | ERG1 | Eag-related protein 1 | Ether a-go-go related gene potassium channel (hERG) | Ether-a-go-go-related gene (HERG) | Ether-a-go-go-related gene potassium channel (hERG) | Ether-a-go-go-related gene potassium channel 1 | Ether-a-go-go-related gene potassium channel 1 (HERG) | Ether-a-go-go-related gene potassium channel 1 (hERG1) | Ether-a-go-go-related protein (hERG) | Ether-a-go-go-related protein 1 | Ether-a-go-go-related protein 1 (HERG) | H-ERG | HERG | KCNH2 | KCNH2_HUMAN | Potassium voltage-gated channel subfamily H member 2 (hERG) | Transcriptional regulator ERG | Voltage-gated potassium channel subunit Kv11.1 | eag homolog | hERG Potassium Channel 1 | putative potassium channel subunit | ||
| Type: | Multi-pass membrane protein | ||
| Mol. Mass.: | 126672.65 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q12809 | ||
| Residue: | 1159 | ||
| Sequence: |
| ||
| BDBM50325851 | |||
| n/a | |||
| Name | BDBM50325851 | ||
| Synonyms: | CHEMBL1223870 | trans-3-((1R,3R,5S)-8-(2-((4R)-4-(3,3-dimethylureido)cyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yloxy)benzamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H38N4O3 | ||
| Mol. Mass. | 442.5942 | ||
| SMILES | CN(C)C(=O)N[C@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,6.5,wD:9.9,18.21,TLB:11:12:18.19.17:14.15,(-3.99,-5.38,;-5.4,-6.01,;-6.65,-5.11,;-5.55,-7.54,;-6.96,-8.18,;-4.3,-8.44,;-2.9,-7.81,;-2.74,-6.28,;-1.34,-5.65,;-.1,-6.55,;1.3,-5.91,;2.56,-6.8,;4.18,-5.87,;4.75,-7.8,;3.24,-7.52,;2.58,-6.03,;3.14,-4.74,;4.63,-4.34,;5.87,-5.26,;5.92,-6.79,;7.24,-4.55,;8.54,-5.37,;8.47,-6.92,;9.78,-7.74,;11.14,-7.03,;11.2,-5.48,;9.9,-4.66,;12.56,-4.76,;13.87,-5.58,;12.62,-3.22,;-.24,-8.08,;-1.65,-8.71,)| | ||
| Structure | 
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