Ki Summary

Reaction Details

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Target

11-beta-hydroxysteroid dehydrogenase 1

Ligand

BDBM50445565

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1285731 (CHEMBL3107720)

IC50

347±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

BDBM50445565

n/a

Name

BDBM50445565

Synonyms:

CHEMBL3103521

Type

Small organic molecule

Emp. Form.

C24H25FN4O

Mol. Mass.

404.4799

SMILES

OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(11.94,-22.46,;10.65,-23.31,;10.63,-24.84,;9.23,-25.19,;7.91,-24.7,;7.9,-23.21,;9.25,-22.73,;8.2,-23.97,;8.21,-25.55,;9.63,-26.12,;6.71,-25.98,;5.37,-25.17,;4.02,-25.93,;2.53,-25.5,;1.67,-26.78,;2.63,-28,;4.08,-27.47,;6.7,-27.51,;5.36,-28.27,;5.35,-29.8,;6.68,-30.58,;8.02,-29.81,;8.02,-28.28,;6.67,-32.12,;5.33,-32.89,;5.32,-34.43,;6.65,-35.21,;6.65,-36.76,;8,-34.44,;8,-32.9,)|

Structure