Reaction Details | |||
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Target | Corticotropin-releasing factor receptor 1 | ||
Ligand | BDBM50417503 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_685890 (CHEMBL1292646) | ||
IC50 | 100±n/a nM | ||
Citation | Tellew, JE; Lanier, M; Moorjani, M; Lin, E; Luo, Z; Slee, DH; Zhang, X; Hoare, SR; Grigoriadis, DE; St Denis, Y; Di Fabio, R; Di Modugno, E; Saunders, J; Williams, JP Discovery of NBI-77860/GSK561679, a potent corticotropin-releasing factor (CRF1) receptor antagonist with improved pharmacokinetic properties. Bioorg Med Chem Lett20:7259-64 (2010) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Corticotropin-releasing factor receptor 1 | |||
Name: | Corticotropin-releasing factor receptor 1 | ||
Synonyms: | CRF-R | CRF-R2 Alpha | CRF1 | CRFR | CRFR1 | CRFR1_HUMAN | CRH-R 1 | CRHR | CRHR1 | Corticotropin releasing factor receptor 1 | Corticotropin-releasing factor receptor 1 (CRF-1) | Corticotropin-releasing factor receptor 1 (CRF1) | Corticotropin-releasing hormone receptor 1 | ||
Type: | Enzyme | ||
Mol. Mass.: | 50744.31 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P34998 | ||
Residue: | 444 | ||
Sequence: |
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BDBM50417503 | |||
n/a | |||
Name | BDBM50417503 | ||
Synonyms: | GSK-561679 | GSK561679A | NBI-77860 | VERUCERFONT | ||
Type | Small organic molecule | ||
Emp. Form. | C22H26N6O2 | ||
Mol. Mass. | 406.4808 | ||
SMILES | CC[C@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |r,wD:2.2,(20.63,-20.94,;21.95,-21.72,;21.94,-23.26,;23.27,-24.04,;23.25,-25.58,;21.89,-26.34,;21.88,-27.88,;20.54,-28.64,;23.21,-28.66,;24.55,-27.91,;26,-28.4,;26.93,-27.17,;28.47,-27.19,;26.03,-25.91,;24.57,-26.37,;26.72,-29.77,;25.89,-31.07,;26.59,-32.42,;28.13,-32.5,;28.83,-33.87,;30.37,-33.94,;28.96,-31.21,;28.25,-29.84,;29.08,-28.54,;20.69,-24.16,;19.23,-23.68,;18.32,-24.9,;16.78,-24.89,;19.22,-26.16,;20.69,-25.7,)| | ||
Structure |