Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Potassium voltage-gated channel subfamily KQT member 1 | ||
Ligand | BDBM50023589 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1454245 (CHEMBL3363795) | ||
IC50 | >333000±n/a nM | ||
Citation | Reck, F; Ehmann, DE; Dougherty, TJ; Newman, JV; Hopkins, S; Stone, G; Agrawal, N; Ciaccio, P; McNulty, J; Barthlow, H; O'Donnell, J; Goteti, K; Breen, J; Comita-Prevoir, J; Cornebise, M; Cronin, M; Eyermann, CJ; Geng, B; Carr, GR; Pandarinathan, L; Tang, X; Cottone, A; Zhao, L; Bezdenejnih-Snyder, N Optimization of physicochemical properties and safety profile of novel bacterial topoisomerase type II inhibitors (NBTIs) with activity against Pseudomonas aeruginosa. Bioorg Med Chem22:5392-409 (2014) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Potassium voltage-gated channel subfamily KQT member 1 | |||
Name: | Potassium voltage-gated channel subfamily KQT member 1 | ||
Synonyms: | KCNA8 | KCNA9 | KCNQ (Kv7) potassium channel | KCNQ1 | KCNQ1_HUMAN | KVLQT1 | Voltage-gated potassium channel subunit Kv7.1 | Voltage-gated potassium channel subunit Kv7.1/Misshapen-like kinase 1 | ||
Type: | PROTEIN | ||
Mol. Mass.: | 74739.00 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_1454245 | ||
Residue: | 676 | ||
Sequence: |
| ||
BDBM50023589 | |||
n/a | |||
Name | BDBM50023589 | ||
Synonyms: | CHEMBL3355573 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H26FN7O3 | ||
Mol. Mass. | 467.496 | ||
SMILES | [H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(F)ccc2ncc1=O |r,wU:20.23,wD:4.7,1.0,(25.26,-46.78,;23.93,-46.02,;22.6,-45.26,;22.59,-43.72,;23.93,-42.94,;25.26,-43.71,;25.27,-45.24,;23.92,-41.4,;25.26,-40.63,;26.59,-41.4,;26.58,-42.95,;27.92,-43.71,;29.25,-42.94,;30.58,-43.71,;31.92,-42.94,;31.92,-41.39,;33.25,-40.62,;30.58,-40.61,;29.24,-41.39,;27.91,-40.63,;23.94,-47.56,;25.28,-48.32,;22.61,-48.34,;22.62,-49.88,;21.29,-50.66,;19.95,-49.9,;18.62,-50.67,;17.29,-49.9,;18.62,-52.21,;19.96,-52.98,;21.29,-52.22,;22.63,-52.99,;23.98,-52.21,;23.97,-50.65,;25.3,-49.88,)| | ||
Structure |