Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50018802
Substrate
n/a
Meas. Tech.
ChEMBL_1362858 (CHEMBL3295808)
IC50
39±n/a nM
Citation
 Gillespie, P; Pietranico-Cole, S; Myers, M; Bilotta, JA; Conde-Knape, K; Fotouhi, N; Goodnow, RA; Guertin, KR; Hamilton, MM; Haynes, NE; Liu, B; Qi, L; Ren, Y; Scott, NR; So, SS; Spence, C; Taub, R; Thakkar, K; Tilley, JW; Zwingelstein, C Discovery of camphor-derived pyrazolones as 11ß-hydroxysteroid dehydrogenase type 1 inhibitors. Bioorg Med Chem Lett 24:2707-11 (2014) [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 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | DHI1_RAT | Hsd11 | Hsd11b1
Type:
Enzyme
Mol. Mass.:
31889.48
Organism:
Rattus norvegicus (rat)
Description:
P16232
Residue:
288
Sequence:
MKKYLLPVLVLCLGYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMAFAERFVVEAGKLLGGLDMLILNHITQTTMSLFHDDIHSVRRSMEVNFLSYVVLSTAALPMLKQSNGSIAIISSMAGKMTQPLIASYSASKFALDGFFSTIRKEHLMTKVNVSITLCVLGFIDTETALKETSGIILSQAAPKEECALEIIKGTVLRKDEVYYDKSSWTPLLLGNPGRRIMEFLSLRSYNRDLFVSN
  
Inhibitor
Name:
BDBM50018802
Synonyms:
CHEMBL3291354
Type:
Small organic molecule
Emp. Form.:
C18H21ClN2O
Mol. Mass.:
316.825
SMILES:
[H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1Cl)n3C)C2(C)C |r,wU:4.4,1.0,(22.13,-16.72,;22.13,-15.22,;23.42,-14.48,;23.42,-12.98,;22.13,-12.23,;21.71,-10.79,;20.84,-12.98,;20.84,-14.48,;19.42,-14.94,;18.96,-16.36,;18.54,-13.73,;16.99,-13.72,;16.23,-12.39,;14.69,-12.38,;13.91,-13.72,;14.69,-15.07,;16.23,-15.06,;17.01,-16.4,;19.42,-12.52,;18.94,-11.05,;22.99,-13.72,;24.49,-14.58,;24.49,-12.86,)|
Structure:
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