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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50193791
Substrate
n/a
Meas. Tech.
ChEMBL_424101 (CHEMBL856747)
IC50
51±n/a nM
Citation
 Yeh, VS; Kurukulasuriya, R; Fung, S; Monzon, K; Chiou, W; Wang, J; Stolarik, D; Imade, H; Shapiro, R; Knourek-Segel, V; Bush, E; Wilcox, D; Nguyen, PT; Brune, M; Jacobson, P; Link, JT Discovery of orally active butyrolactam 11beta-HSD1 inhibitors. Bioorg Med Chem Lett 16:5555-60 (2006) [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:
BDBM50193791
Synonyms:
4-[3,3-dimethyl-2-oxo-4-(5-trifluoromethyl-pyridin-2-yloxymethyl)-pyrrolidin-1-yl]-adamantane-1-carboxamidine | CHEMBL376226
Type:
Small organic molecule
Emp. Form.:
C24H31F3N4O2
Mol. Mass.:
464.5237
SMILES:
CC1(C)C(COc2ccc(cn2)C(F)(F)F)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=N)C1=O |wU:18.18,wD:25.31,TLB:18:19:26:22.23.24,17:18:26.21.22:24,THB:20:21:24:27.19.18,20:19:26.21.22:24,18:23:26:27.20.19,(1.54,-18.24,;.22,-17.48,;.67,-16,;-.26,-18.94,;.64,-20.19,;2.19,-20.15,;2.98,-21.47,;2.24,-22.81,;3.04,-24.13,;4.58,-24.1,;5.32,-22.74,;4.52,-21.43,;5.33,-25.43,;6.09,-26.75,;4,-26.19,;6.66,-24.66,;-1.81,-18.94,;-2.28,-17.48,;-3.74,-17,;-5.06,-17.59,;-6.59,-17,;-6.64,-15.46,;-5.2,-14.94,;-3.74,-15.47,;-4.73,-14.29,;-6.17,-14.88,;-7.58,-14.25,;-6.04,-16.41,;-6.18,-13.33,;-7.51,-12.56,;-4.85,-12.56,;-1.03,-16.57,;-1.03,-15.02,)|
Structure:
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