Reaction Details | |||
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Target | Potassium voltage-gated channel subfamily H member 2 | ||
Ligand | BDBM50523596 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1890740 (CHEMBL4392494) | ||
Ki | 4500±n/a nM | ||
Citation | Yu, Y; Wu, Z; Shi, ZC; He, S; Lai, Z; Cernak, TA; Vachal, P; Liu, M; Liu, J; Hong, Q; Jian, T; Guiadeen, D; Krikorian, A; Sperbeck, DM; Verras, A; Sonatore, LM; Murphy, BA; Wiltsie, J; Chung, CC; Gorski, JN; Liu, J; Xiao, J; Wolff, M; Tong, SX; Madeira, M; Karanam, BV; Shen, DM; Balkovec, JM; De Vita, RJ; Pinto, S; Nargund, RP Accelerating the discovery of DGAT1 inhibitors through the application of parallel medicinal chemistry (PMC). Bioorg Med Chem Lett29:1380-1385 (2019) [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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BDBM50523596 | |||
n/a | |||
Name | BDBM50523596 | ||
Synonyms: | CHEMBL4473500 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H29ClN4O3 | ||
Mol. Mass. | 468.976 | ||
SMILES | OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |r,wU:7.10,wD:4.3,(73.88,-44.52,;73.12,-43.18,;71.58,-43.17,;73.9,-41.85,;73.14,-40.51,;73.92,-39.18,;73.16,-37.84,;71.63,-37.85,;70.84,-39.17,;71.6,-40.5,;70.86,-36.51,;69.32,-36.5,;68.55,-37.83,;67.02,-37.82,;66.26,-36.49,;67.02,-35.16,;68.56,-35.17,;64.72,-36.49,;63.94,-35.15,;62.41,-35.15,;61.64,-36.48,;62.41,-37.82,;63.95,-37.82,;60.11,-36.48,;59.2,-35.23,;57.73,-35.71,;56.39,-34.95,;55.07,-35.72,;53.73,-34.95,;55.06,-37.26,;56.4,-38.03,;57.73,-37.25,;59.2,-37.73,)| | ||
Structure |