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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50192672
Substrate
n/a
Meas. Tech.
ChEMBL_422276 (CHEMBL855996)
IC50
65±n/a nM
Citation
 Yeh, VS; Kurukulasuriya, R; Madar, D; Patel, JR; Fung, S; Monzon, K; Chiou, W; Wang, J; Jacobson, P; Sham, HL; Link, JT Synthesis and structural activity relationship of 11beta-HSD1 inhibitors with novel adamantane replacements. Bioorg Med Chem Lett 16:5408-13 (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:
BDBM50192672
Synonyms:
(3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)propanamido)bicyclo[3.3.1]nonane-3-carboxamide | CHEMBL219403
Type:
Small organic molecule
Emp. Form.:
C24H34F3N5O2
Mol. Mass.:
481.5543
SMILES:
CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:22.23,wD:29.34,THB:31:29:24.26.25:22,21:22:30.29.28:24.26.25,(-3.36,-19.61,;-2.02,-18.86,;-.69,-19.63,;-.69,-18.09,;.65,-18.87,;1.98,-18.11,;1.99,-16.57,;.66,-15.8,;-.68,-16.56,;3.32,-15.81,;3.32,-14.28,;4.65,-13.51,;5.99,-14.29,;5.98,-15.82,;4.65,-16.59,;7.32,-13.52,;8.64,-12.74,;8.1,-14.85,;6.55,-12.19,;-3.36,-18.08,;-3.35,-16.55,;-4.82,-18.94,;-4.81,-20.64,;-5.39,-22.21,;-5.39,-24.54,;-7.42,-24.48,;-6.43,-23.78,;-6.43,-21.11,;-7.77,-21.11,;-8.29,-20.17,;-8.32,-22.14,;-9.78,-20.57,;-10.87,-19.48,;-10.19,-22.05,)|
Structure:
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