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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50066890
Substrate
n/a
Meas. Tech.
ChEMBL_1466123 (CHEMBL3404741)
IC50
2.7±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:
BDBM50066890
Synonyms:
CHEMBL3401679
Type:
Small organic molecule
Emp. Form.:
C28H36N4O3
Mol. Mass.:
476.6104
SMILES:
COc1ccc(cc1)N1CCN([C@H](C)C1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:31.35,12.13,wD:24.26,TLB:28:27:34:30.29.24,28:29:33.27.26:34,24:25:33:30.28.29,THB:24:29:33:26.25.34,23:24:33.27.26:34,(-18.86,3.27,;-18.69,2.05,;-17.26,1.48,;-17.03,-.04,;-15.6,-.61,;-14.4,.34,;-14.62,1.86,;-16.05,2.43,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-10.32,.16,;-9.36,.93,;-11.76,.73,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;2.78,1.14,;1.56,2.59,;.56,-.22,)|
Structure:
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