Reaction Details | |||
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Target | Glucocorticoid receptor | ||
Ligand | BDBM50249144 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_499970 (CHEMBL1019340) | ||
Ki | 303±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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BDBM50249144 | |||
n/a | |||
Name | BDBM50249144 | ||
Synonyms: | 15-(2-hydroxyethyl)-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 | CHEMBL474771 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H20N2O2S | ||
Mol. Mass. | 376.471 | ||
SMILES | OCCC1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:2:3:6.11:13.18,10:11:4.3:13.18,14:13:6.11:4.3,THB:19:3:6.11:13.18,(.97,-31.91,;2.31,-32.69,;3.64,-31.91,;4.99,-32.69,;5.49,-33.46,;5.5,-35.65,;3.63,-36.17,;2.29,-36.94,;.95,-36.17,;.96,-34.62,;2.28,-33.85,;3.6,-34.77,;4.99,-34.1,;6.52,-35,;7.79,-34.26,;9.07,-34.99,;9.07,-36.48,;7.79,-37.22,;6.52,-36.48,;5.74,-31.35,;4.95,-30.02,;7.28,-31.33,;8.04,-29.99,;9.58,-29.81,;9.88,-28.29,;8.54,-27.54,;7.4,-28.58,)| | ||
Structure |