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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Potassium voltage-gated channel subfamily H member 2 | ||
| Ligand | BDBM50179770 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_336038 (CHEMBL865929) | ||
| Ki | 862±n/a nM | ||
| Citation |  Hollingworth, GJ; Carlson, EJ; Castro, JL; Chicchi, GG; Clark, N; Cooper, LC; Dirat, O; Salvo, JD; Elliott, JM; Kilburn, R; Kurtz, MM; Rycroft, W; Tattersall, FD; Tsao, KL; Swain, CJ Novel lactam NK1 antagonists with anti-emetic activity. Bioorg Med Chem Lett16:1197-201 (2006) [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: |
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| BDBM50179770 | |||
| n/a | |||
| Name | BDBM50179770 | ||
| Synonyms: | 3-(3,5-bis-trifluoromethyl-phenyl)-3-hydroxy-1-[4-(2-oxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-cyclohexyl]-pyrrolidin-2-one | CHEMBL202884 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C32H36F6N2O3 | ||
| Mol. Mass. | 610.6303 | ||
| SMILES | OC1(CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCC2(CCOC2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:7.7,wD:10.14,(-.05,5.3,;-1.13,4.2,;-1.77,5.6,;-3.3,5.43,;-3.61,3.92,;-2.27,3.16,;-2.1,1.63,;-4.93,3.14,;-3.6,2.36,;-3.6,.82,;-4.93,.06,;-6.26,.82,;-6.26,2.36,;-4.93,-1.48,;-6.27,-2.25,;-6.27,-3.78,;-4.95,-4.55,;-6.28,-5.32,;-5.97,-6.82,;-4.44,-6.99,;-3.81,-5.59,;-3.6,-3.79,;-3.6,-2.24,;-6.28,3.91,;-6.28,5.46,;-7.62,6.23,;-8.96,5.45,;-8.95,3.9,;-7.61,3.13,;.38,3.89,;1.69,4.68,;3.03,3.93,;3.05,2.38,;1.72,1.6,;.38,2.36,;1.73,.06,;1.72,-1.48,;3.27,.06,;.19,.05,;4.36,4.71,;5.68,5.49,;3.57,6.04,;5.14,3.39,)| | ||
| Structure | 
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