Reaction Details | |||
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Target | Glucocorticoid receptor | ||
Ligand | BDBM50249143 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_499970 (CHEMBL1019340) | ||
Ki | 3.9±n/a nM | ||
Citation | Yang, BV; Vaccaro, W; Doweyko, AM; Doweyko, LM; Huynh, T; Tortolani, D; Nadler, SG; McKay, L; Somerville, J; Holloway, DA; Habte, S; Weinstein, DS; Barrish, JC Discovery of novel dihydro-9,10-ethano-anthracene carboxamides as glucocorticoid receptor modulators. Bioorg Med Chem Lett19:2139-43 (2009) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Glucocorticoid receptor | |||
Name: | Glucocorticoid receptor | ||
Synonyms: | GCR_HUMAN | GR | GRL | Glucocorticoid | Glucocorticoid receptor (GRFP) | NR3C1 | Nuclear receptor subfamily 3 group C member 1 | ||
Type: | Enzyme | ||
Mol. Mass.: | 85656.87 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P04150 | ||
Residue: | 777 | ||
Sequence: |
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BDBM50249143 | |||
n/a | |||
Name | BDBM50249143 | ||
Synonyms: | 15-ethyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9(14),10,12-hexaene-15-carboxamide | CHEMBL472801 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H20N2OS | ||
Mol. Mass. | 360.472 | ||
SMILES | CCC1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:1:2:5.10:12.17,9:10:3.2:12.17,13:12:5.10:3.2,THB:18:2:5.10:12.17,(-9.76,-32.3,;-8.42,-31.52,;-7.08,-32.3,;-6.57,-33.07,;-6.56,-35.26,;-8.43,-35.78,;-9.77,-36.55,;-11.11,-35.78,;-11.1,-34.23,;-9.78,-33.46,;-8.47,-34.38,;-7.08,-33.71,;-5.54,-34.61,;-4.27,-33.87,;-2.99,-34.6,;-2.99,-36.09,;-4.27,-36.83,;-5.55,-36.09,;-6.32,-30.96,;-7.11,-29.63,;-4.78,-30.94,;-4.02,-29.6,;-2.49,-29.42,;-2.18,-27.91,;-3.53,-27.15,;-4.66,-28.19,)| | ||
Structure |