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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50306422
Substrate
n/a
Meas. Tech.
ChEMBL_609882 (CHEMBL1073438)
IC50
19.7±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:
BDBM50306422
Synonyms:
2-{1'-[(adamantan-2-yl)carbamoyl]-4-methyl-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl}acetic acid | CHEMBL597063
Type:
Small organic molecule
Emp. Form.:
C27H36N2O3
Mol. Mass.:
436.5863
SMILES:
Cc1cccc2c1C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:27:31:24.23.22,28:23:26.27.29:31,THB:22:23:26:29.30.31,22:30:26:24.28.23,21:22:26.27.29:31,(41.31,-1.21,;40.08,-2.14,;40.27,-3.66,;39.05,-4.59,;37.64,-3.99,;37.45,-2.47,;38.68,-1.55,;38.18,-.09,;38.95,1.24,;40.49,1.24,;41.27,-.09,;41.27,2.58,;36.64,-.12,;36.19,-1.6,;36.13,-3.14,;34.78,-3.87,;33.47,-3.05,;33.5,-1.51,;34.87,-.78,;32.12,-3.79,;32.08,-5.33,;30.8,-2.98,;29.44,-3.72,;29.43,-5.25,;28.04,-5.6,;26.71,-5.1,;25.51,-6.38,;27.01,-5.96,;28.42,-6.53,;27.01,-4.37,;28.05,-3.14,;26.7,-3.62,)|
Structure:
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