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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50306427
Substrate
n/a
Meas. Tech.
ChEMBL_609881 (CHEMBL1073437)
IC50
3.4±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:
BDBM50306427
Synonyms:
2-{1'-[(adamantan-2-yl)carbamoyl]-6-chloro-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl}acetic acid | CHEMBL602051
Type:
Small organic molecule
Emp. Form.:
C26H33ClN2O3
Mol. Mass.:
457.005
SMILES:
OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2cc(Cl)ccc12 |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,(23.83,-21.54,;23.06,-20.21,;23.83,-18.87,;21.51,-20.2,;20.74,-21.54,;19.2,-21.57,;18.75,-23.04,;18.69,-24.59,;17.34,-25.32,;16.03,-24.5,;16.06,-22.96,;17.42,-22.23,;14.67,-25.24,;14.63,-26.78,;13.36,-24.43,;12,-25.17,;11.99,-26.7,;10.59,-27.05,;9.26,-26.56,;8.06,-27.84,;9.56,-27.42,;10.97,-27.98,;9.55,-25.82,;10.6,-24.59,;9.25,-25.07,;20.01,-23.92,;20.2,-25.44,;21.61,-26.04,;21.8,-27.57,;22.84,-25.11,;22.65,-23.59,;21.24,-23,)|
Structure:
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