Ki Summary

Reaction Details

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Target

11-beta-hydroxysteroid dehydrogenase 1

Ligand

BDBM50400154

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_878465 (CHEMBL2187379)

IC50

31±n/a nM

Citation

Goldberg, FW; Leach, AG; Scott, JS; Snelson, WL; Groombridge, SD; Donald, CS; Bennett, SN; Bodin, C; Gutierrez, PM; Gyte, AC Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitors. J Med Chem55:10652-61 (2012) [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

BDBM50400154

n/a

Name

BDBM50400154

Synonyms:

CHEMBL2179011

Type

Small organic molecule

Emp. Form.

C24H34N4O5S

Mol. Mass.

490.616

SMILES

O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4CCS(=O)(=O)CC4)nc1OC1CCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:32.3.4,8:7:6.33.1:32.3.4,8:7:4:6.1.2,THB:0:1:7.31.32:4,2:1:7:32.3.4,2:3:7:6.33.1,33:31:4:6.1.2,33:1:7.31.32:4,(36.2,-3.56,;34.67,-3.54,;33.62,-2.42,;32.21,-2.97,;31.56,-4.24,;32.59,-5.32,;33.89,-4.76,;32.6,-7.06,;31.27,-7.84,;29.93,-7.07,;29.92,-5.53,;28.6,-7.85,;27.26,-7.08,;25.93,-7.85,;25.93,-9.4,;24.59,-10.17,;23.26,-9.4,;23.27,-7.86,;21.94,-7.08,;20.6,-7.85,;19.1,-8.24,;19.5,-6.75,;20.6,-9.39,;21.93,-10.17,;27.26,-10.17,;28.6,-9.4,;29.94,-10.17,;29.94,-11.71,;28.85,-12.79,;29.94,-13.88,;31.03,-12.79,;33.4,-5.73,;32.23,-4.41,;34.81,-5.17,)|

Structure