Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50445566
Substrate
n/a
Meas. Tech.
ChEMBL_1285730 (CHEMBL3107719)
IC50
8.0±n/a nM
Citation
 Ye, XY; Yoon, D; Chen, SY; Nayeem, A; Golla, R; Seethala, R; Wang, M; Harper, T; Sleczka, BG; Apedo, A; Li, YX; He, B; Kirby, M; Gordon, DA; Robl, JA Synthesis and structure-activity relationship of 2-adamantylmethyl tetrazoles as potent and selective inhibitors of human 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1). Bioorg Med Chem Lett 24:654-60 (2014) [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:
BDBM50445566
Synonyms:
CHEMBL3103428
Type:
Small organic molecule
Emp. Form.:
C25H28N4O2
Mol. Mass.:
416.5154
SMILES:
COc1ccc(cc1)-c1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC1CC(C2)C3O |TLB:24:23:14.25.26:28,11:14:22.24.23:26.27.28,15:14:28:22.23.29,THB:30:29:14.25.26:28,24:25:28:22.23.29,29:23:14:26.27.28,29:27:14:22.24.23,11:14:28:22.23.29,15:14:22.24.23:26.27.28,(5.06,-52.22,;6.4,-51.45,;6.4,-49.91,;5.07,-49.13,;5.08,-47.59,;6.42,-46.82,;7.75,-47.59,;7.75,-49.13,;6.43,-45.28,;5.1,-44.5,;5.11,-42.97,;6.45,-42.21,;7.77,-42.98,;7.77,-44.51,;6.46,-40.67,;5.12,-39.87,;3.77,-40.62,;2.28,-40.2,;1.42,-41.48,;2.38,-42.7,;3.83,-42.16,;7.66,-39.39,;8.98,-39.89,;10.38,-39.54,;9.37,-40.82,;7.96,-40.25,;7.95,-38.67,;8.99,-37.43,;7.65,-37.91,;10.4,-38.01,;11.69,-37.16,)|
Structure:
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