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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50430137
Substrate
n/a
Meas. Tech.
ChEMBL_942935 (CHEMBL2342884)
IC50
11±n/a nM
Citation
 Udagawa, S; Sakami, S; Takemura, T; Sato, M; Arai, T; Nitta, A; Aoki, T; Kawai, K; Iwamura, T; Okazaki, S; Takahashi, T; Kaino, M Discovery of novel 7-membered cyclic amide derivatives that inhibit 11beta-hydroxysteroid dehydrogenase type 1. Bioorg Med Chem Lett 23:1617-21 (2013) [PubMed]  Article 
Target
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:
MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEECALEIIKGGALRQEEVYYDSSLWTTLLIRNPCRKILEFLYSTSYNMDRFINK
  
Inhibitor
Name:
BDBM50430137
Synonyms:
CHEMBL2338249
Type:
Small organic molecule
Emp. Form.:
C26H33N3O3
Mol. Mass.:
435.5585
SMILES:
COc1ccc(cc1)-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:19.20,26.29,TLB:23:22:29:25.24.19,23:24:28.22.21:29,19:20:28:25.23.24,THB:19:24:28:21.20.29,18:19:28.22.21:29,(8.21,-30.35,;7.44,-31.68,;8.2,-33.02,;9.74,-33.03,;10.5,-34.37,;9.71,-35.7,;8.18,-35.69,;7.42,-34.36,;10.47,-37.03,;9.83,-38.44,;10.96,-39.48,;12.31,-38.72,;12,-37.21,;12.99,-36.03,;12.36,-34.62,;13.39,-34.53,;14.53,-36.07,;15.46,-37.3,;15.09,-38.79,;16.27,-39.78,;17.66,-39.19,;18.71,-40.41,;18.72,-42,;17.32,-42.57,;16.29,-41.31,;17.69,-41.64,;19.01,-41.14,;20.55,-41.12,;20.22,-42.4,;19.01,-39.65,;13.68,-39.42,;13.65,-40.96,)|
Structure:
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