Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1 [23-292,A23S,F278E]
Ligand
BDBM32525
Substrate
BDBM13739
Meas. Tech.
Scintillation Proximity Assay (SPA)
pH
6.5±n/a
Temperature
296.15±n/a K
IC50
4.7±n/a nM
Citation
Wang, H; Ruan, Z; Li, JJ; Simpkins, LM; Smirk, RA; Wu, SC; Hutchins, RD; Nirschl, DS; Van Kirk, K; Cooper, CB; Sutton, JC; Ma, Z; Golla, R; Seethala, R; Salyan, ME; Nayeem, A; Krystek, SR; Sheriff, S; Camac, DM; Morin, PE; Carpenter, B; Robl, JA; Zahler, R; Gordon, DA; Hamann, LG Pyridine amides as potent and selective inhibitors of 11beta-hydroxysteroid dehydrogenase type 1. Bioorg Med Chem Lett 18:3168-72 (2008) [PubMed] Article
More Info.:
Target
Name:
11-beta-hydroxysteroid dehydrogenase 1 [23-292,A23S,F278E]
Synonyms:
11-DH | 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 | DHI1_HUMAN | HSD11 | HSD11B1 | HSD11L | SDR26C1
Type:
Homodimer
Mol. Mass.:
31315.06
Organism:
Human
Description:
P28845[23-292,A23S,F278E]
Residue:
286
Sequence:
GSHMASMTGGQQMGRGSNEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEECALEIIKGGALRQEEVYYDSSRWTTLLIRNPCRKILEELYSTSYNMDRFINK
Inhibitor
Name:
BDBM32525
Synonyms:
pyridine amide, 33
Type:
Small organic molecule
Emp. Form.:
C27H28N2O
Mol. Mass.:
396.524
SMILES:
O=C(N1CCCC2CCCCC12)c1cccc(n1)-c1ccccc1-c1ccccc1
Substrate
Name:
BDBM13739
Synonyms:
(1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,17-dione | [3H]-cortisone | [3H]cortisone | cortisone
Type:
Steroid
Emp. Form.:
C21H28O5
Mol. Mass.:
360.444
SMILES:
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:23|