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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50060409
Substrate
n/a
Meas. Tech.
ChEMBL_1466123 (CHEMBL3404741)
IC50
2.8±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:
BDBM50060409
Synonyms:
CHEMBL3394415
Type:
Small organic molecule
Emp. Form.:
C27H31N5O2
Mol. Mass.:
457.5673
SMILES:
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cc1)C#N)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:4:3:33:6.5.7,4:5:33:3.2.32,THB:8:7:33:3.2.32,2:3:7:6.33.1,2:1:7:3.4.32,0:1:7:3.4.32,(2.78,1.14,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;-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,;-11.31,-2.32,;-12.74,-1.75,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-18.69,2.04,;-19.84,2.49,;-.95,.32,;-1,2.05,;.56,-.22,)|
Structure:
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