Ki Summary

Reaction Details

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Target

11-beta-hydroxysteroid dehydrogenase 1

Ligand

BDBM28367

Substrate/Competitor

BDBM13739

Meas. Tech.

11beta-HSD1 SPA Assay

7.5±n/a

Temperature

295.15±n/a K

IC50

0.88±n/a nM

Citation

Rew, Y; McMinn, DL; Wang, Z; He, X; Hungate, RW; Jaen, JC; Sudom, A; Sun, D; Tu, H; Ursu, S; Villemure, E; Walker, NP; Yan, X; Ye, Q; Powers, JP Discovery and optimization of piperidyl benzamide derivatives as a novel class of 11beta-HSD1 inhibitors. Bioorg Med Chem Lett19:1797-801 (2009) [PubMed] Article

More Info.:

Get all data from this article, Solution Info, Assay Method

11-beta-hydroxysteroid dehydrogenase 1

Name:

11-beta-hydroxysteroid dehydrogenase 1

Synonyms:

Type:

Enzyme

Mol. Mass.:

32409.16

Organism:

Homo sapiens (Human)

Description:

P28845

Residue:

292

Sequence:

MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAH
VVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNH
ITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMV
AAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEE
CALEIIKGGALRQEEVYYDSSLWTTLLIRNPCRKILEFLYSTSYNMDRFINK

BDBM28367

BDBM13739

Name

BDBM28367

Synonyms:

N-[4-(2-cyano-2,2-dimethylethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide | cyclohexyl benzamide derivative, 6

Type

Small organic molecule

Emp. Form.

C24H31F3N2O2

Mol. Mass.

436.5103

SMILES

CC(C)(C[C@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F)C#N |r,wU:7.10,22.25,wD:4.3,22.26,(1.07,2.84,;1.84,1.51,;2.61,2.84,;.51,.73,;-.82,1.5,;-.82,3.05,;-2.16,3.82,;-3.49,3.05,;-3.49,1.5,;-2.16,.73,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-6.16,3.05,;-6.16,1.51,;-7.49,3.81,;-8.83,3.04,;-10.16,3.81,;-10.16,5.36,;-8.83,6.13,;-7.49,5.36,;-11.49,6.13,;-12.83,5.36,;-12.98,6.52,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,;3.18,.74,;4.51,-.03,)|

Structure