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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50306429
Substrate
n/a
Meas. Tech.
ChEMBL_609882 (CHEMBL1073438)
IC50
5.3±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:
BDBM50306429
Synonyms:
2-{1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl}acetic acid | CHEMBL605162
Type:
Small organic molecule
Emp. Form.:
C26H33BrN2O3
Mol. Mass.:
501.456
SMILES:
OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(3.99,-32.71,;3.22,-31.38,;3.99,-30.03,;1.67,-31.37,;.9,-32.71,;-.64,-32.74,;-1.09,-34.21,;-1.15,-35.76,;-2.5,-36.49,;-3.81,-35.67,;-3.78,-34.13,;-2.42,-33.4,;-5.17,-36.41,;-5.21,-37.95,;-6.48,-35.6,;-7.84,-36.34,;-7.85,-37.87,;-9.25,-38.22,;-10.58,-37.73,;-11.78,-39.01,;-10.28,-38.58,;-8.87,-39.15,;-10.28,-36.99,;-9.24,-35.76,;-10.59,-36.24,;.17,-35.09,;1.4,-34.17,;2.81,-34.76,;3,-36.28,;1.77,-37.21,;.36,-36.61,;-.88,-37.54,)|
Structure:
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