Ki Summary

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Target

11-beta-hydroxysteroid dehydrogenase 1

Ligand

BDBM13761

Substrate/Competitor

BDBM13739

Meas. Tech.

Human and Mouse 11beta-HSD1 SPA Assay

IC50

4±n/a nM

Citation

Patel, JR; Shuai, Q; Dinges, J; Winn, M; Pliushchev, M; Fung, S; Monzon, K; Chiou, W; Wang, J; Pan, L; Wagaw, S; Engstrom, K; Kerdesky, FA; Longenecker, K; Judge, R; Qin, W; Imade, HM; Stolarik, D; Beno, DW; Brune, M; Chovan, LE; Sham, HL; Jacobson, P; Link, JT Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation. Bioorg Med Chem Lett17:750-5 (2007) [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.:

32369.70

Organism:

Mus musculus (mouse)

Description:

P50172

Residue:

292

Sequence:

MAVMKNYLLPILVLFLAYYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAH
VVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMTFAEQFIVKAGKLMGGLDMLILNH
ITQTSLSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQSNGSIAVISSLAGKMTQPMI
APYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDTETAMKEISGIINAQASPKEE
CALEIIKGTALRKSEVYYDKSPLTPILLGNPGRKIMEFFSLRYYNKDMFVSN

BDBM13761

BDBM13739

Name

BDBM13761

Synonyms:

(1R,3R,4S,7S)-4-[2-(4-methoxyphenoxy)-2-methylpropanamido]adamantane-1-carboxamide | adamantane ether 15

Type

Small organic molecule

Emp. Form.

C22H30N2O4

Mol. Mass.

386.4846

SMILES

COc1ccc(OC(C)(C)C(=O)N[C@H]2C3C[C@@H]4C[C@@H]2C[C@](C4)(C3)C(N)=O)cc1 |r,wU:16.15,18.17,13.12,wD:20.25,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(19.76,-3.29,;18.43,-2.52,;17.1,-3.29,;15.76,-2.52,;14.43,-3.29,;14.43,-4.83,;12.94,-5.22,;11.61,-4.45,;10.84,-3.12,;12.7,-3.37,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,;15.76,-5.6,;17.1,-4.83,)|

Structure