Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50066870 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1466123 (CHEMBL3404741) | ||
IC50 | 0.900000±n/a nM | ||
Citation | Ryu, JH; Kim, S; Lee, JA; Han, HY; Son, HJ; Lee, HJ; Kim, YH; Kim, JS; Park, HG Synthesis and optimization of picolinamide derivatives as a novel class of 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitors. Bioorg Med Chem Lett25:1679-83 (2015) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
11-beta-hydroxysteroid dehydrogenase 1 | |||
Name: | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Synonyms: | 11-DH | 11-beta-HSD1 | 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) | 11-beta-hydroxysteroid dehydrogenase | 11-beta-hydroxysteroid dehydrogenase 1 (11HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11beta-HSD1) | DHI1_HUMAN | HSD11 | HSD11B1 | HSD11L | SDR26C1 | ||
Type: | Enzyme | ||
Mol. Mass.: | 32409.16 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P28845 | ||
Residue: | 292 | ||
Sequence: |
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BDBM50066870 | |||
n/a | |||
Name | BDBM50066870 | ||
Synonyms: | CHEMBL3401672 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H33N5O3 | ||
Mol. Mass. | 475.5826 | ||
SMILES | NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:31.35,wD:24.26,TLB:28:27:34:30.29.24,28:29:33.27.26:34,24:25:33:30.28.29,THB:24:29:33:26.25.34,23:24:33.27.26:34,(-18.88,3.25,;-18.7,2.03,;-19.66,1.26,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;2.78,1.14,;1.56,2.59,;.56,-.22,)| | ||
Structure |