Ki Summary

Reaction Details

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Target

11-beta-hydroxysteroid dehydrogenase 1

Ligand

BDBM50445573

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1285731 (CHEMBL3107720)

IC50

169±n/a nM

Citation

Ye, XY; Yoon, D; Chen, SY; Nayeem, A; Golla, R; Seethala, R; Wang, M; Harper, T; Sleczka, BG; Apedo, A; Li, YX; He, B; Kirby, M; Gordon, DA; Robl, JA Synthesis and structure-activity relationship of 2-adamantylmethyl tetrazoles as potent and selective inhibitors of human 11�-hydroxysteroid dehydrogenase type 1 (11�-HSD1). Bioorg Med Chem Lett24:654-60 (2014) [PubMed] Article

More Info.:

Get all data from this article, 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

BDBM50445573

n/a

Name

BDBM50445573

Synonyms:

CHEMBL3103524

Type

Small organic molecule

Emp. Form.

C25H28N4O

Mol. Mass.

400.516

SMILES

Cc1ccc(cc1)-c1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC1CC(C2)C3O |TLB:23:22:13.24.25:27,10:13:21.23.22:25.26.27,14:13:27:21.22.28,THB:29:28:13.24.25:27,23:24:27:21.22.28,28:22:13:25.26.27,28:26:13:21.23.22,10:13:27:21.22.28,14:13:21.23.22:25.26.27,(40.11,-41.92,;40.12,-40.38,;38.79,-39.6,;38.79,-38.05,;40.14,-37.29,;41.47,-38.06,;41.46,-39.6,;40.14,-35.75,;38.82,-34.97,;38.83,-33.44,;40.17,-32.68,;41.49,-33.45,;41.48,-34.98,;40.18,-31.14,;38.84,-30.34,;37.49,-31.09,;36,-30.67,;35.14,-31.95,;36.09,-33.16,;37.54,-32.63,;41.38,-29.86,;42.7,-30.36,;44.1,-30.01,;43.09,-31.29,;41.67,-30.72,;41.67,-29.14,;42.71,-27.9,;41.37,-28.38,;44.12,-28.48,;45.41,-27.63,)|

Structure