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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50306434
Substrate
n/a
Meas. Tech.
ChEMBL_609881 (CHEMBL1073437)
IC50
1.7±n/a nM
Citation
 Tice, CM; Zhao, W; Xu, Z; Cacatian, ST; Simpson, RD; Ye, YJ; Singh, SB; McKeever, BM; Lindblom, P; Guo, J; Krosky, PM; Kruk, BA; Berbaum, J; Harrison, RK; Johnson, JJ; Bukhtiyarov, Y; Panemangalore, R; Scott, BB; Zhao, Y; Bruno, JG; Zhuang, L; McGeehan, GM; He, W; Claremon, DA Spirocyclic ureas: orally bioavailable 11beta-HSD1 inhibitors identified by computer-aided drug design. Bioorg Med Chem Lett 20:881-6 (2010) [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:
BDBM50306434
Synonyms:
CHEMBL606420 | N-(adamantan-2-yl)-7-bromo-3-(2-hydroxyethyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxamide
Type:
Small organic molecule
Emp. Form.:
C26H35BrN2O2
Mol. Mass.:
487.472
SMILES:
OCCC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(39.7,-40.08,;38.93,-41.42,;37.38,-41.42,;36.61,-42.76,;35.07,-42.78,;34.62,-44.26,;34.56,-45.8,;33.21,-46.53,;31.9,-45.72,;31.93,-44.18,;33.29,-43.44,;30.54,-46.45,;30.5,-48,;29.22,-45.65,;27.87,-46.38,;27.86,-47.92,;26.46,-48.26,;25.13,-47.77,;23.93,-49.05,;25.43,-48.63,;26.84,-49.2,;25.42,-47.03,;26.47,-45.8,;25.12,-46.28,;35.88,-45.13,;37.11,-44.21,;38.52,-44.81,;38.71,-46.32,;37.48,-47.25,;36.07,-46.65,;34.83,-47.58,)|
Structure:
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