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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50430139
Substrate
n/a
Meas. Tech.
ChEMBL_942935 (CHEMBL2342884)
IC50
5.4±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:
BDBM50430139
Synonyms:
CHEMBL2338247
Type:
Small organic molecule
Emp. Form.:
C26H33N3O2
Mol. Mass.:
419.5591
SMILES:
Cc1ccc(cc1)-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:18.19,25.28,TLB:22:21:28:24.23.18,22:23:27.21.20:28,18:19:27:24.22.23,THB:18:23:27:20.19.28,17:18:27.21.20:28,(7.11,-16.96,;7.87,-18.3,;9.41,-18.31,;10.17,-19.65,;9.38,-20.98,;7.85,-20.97,;7.09,-19.63,;10.14,-22.31,;9.5,-23.71,;10.64,-24.75,;11.98,-24,;11.68,-22.48,;12.67,-21.3,;12.03,-19.9,;13.06,-19.8,;14.2,-21.34,;15.13,-22.57,;14.76,-24.06,;15.94,-25.05,;17.33,-24.46,;18.38,-25.69,;18.39,-27.27,;16.99,-27.85,;15.96,-26.58,;17.36,-26.92,;18.68,-26.41,;20.22,-26.39,;19.89,-27.68,;18.68,-24.93,;13.36,-24.69,;13.32,-26.23,)|
Structure:
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