Ki Summary

Reaction Details

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Target

11-beta-hydroxysteroid dehydrogenase 1

Ligand

BDBM50445578

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1285731 (CHEMBL3107720)

IC50

1114±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

BDBM50445578

n/a

Name

BDBM50445578

Synonyms:

CHEMBL3103431

Type

Small organic molecule

Emp. Form.

C23H25N5O

Mol. Mass.

387.4775

SMILES

OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccnc1 |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,(45.07,-33.21,;43.78,-34.06,;43.77,-35.6,;42.37,-35.94,;41.04,-35.45,;41.03,-33.96,;42.38,-33.48,;41.33,-34.72,;41.34,-36.31,;42.76,-36.88,;39.84,-36.73,;38.5,-35.93,;37.15,-36.68,;35.66,-36.26,;34.8,-37.54,;35.76,-38.75,;37.21,-38.22,;39.83,-38.27,;38.49,-39.03,;38.48,-40.56,;39.81,-41.34,;41.15,-40.57,;41.15,-39.04,;39.8,-42.88,;38.46,-43.65,;38.45,-45.19,;39.78,-45.97,;41.13,-45.2,;41.13,-43.65,)|

Structure