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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50066878
Substrate
n/a
Meas. Tech.
ChEMBL_1466123 (CHEMBL3404741)
IC50
4.2±n/a nM
Citation
 Ryu, JH; Kim, S; Lee, JA; Han, HY; Son, HJ; Lee, HJ; Kim, YH; Kim, JS; Park, HG Synthesis and optimization of picolinamide derivatives as a novel class of 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitors. Bioorg Med Chem Lett 25:1679-83 (2015) [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:
BDBM50066878
Synonyms:
CHEMBL3401664
Type:
Small organic molecule
Emp. Form.:
C26H31FN4O2
Mol. Mass.:
450.5483
SMILES:
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(F)cc1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:31:30:2.3.4:6,THB:31:3:6:32.30.7,7:30:2:4.5.6,7:5:2:32.31.30,8:7:2.3.4:6,(2.78,1.14,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-18.41,1.92,;-17.03,-.05,;-15.6,-.62,;-1.2,1.02,;-1.2,2.69,;.34,.44,)|
Structure:
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