Ki Summary

Reaction Details

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Target

11-beta-hydroxysteroid dehydrogenase 1

Ligand

BDBM50394007

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_856054 (CHEMBL2162171)

IC50

831±n/a nM

Citation

Scott, JS; Gill, AL; Godfrey, L; Groombridge, SD; Rees, A; Revill, J; Schofield, P; Sörme, P; Stocker, A; Swales, JG; Whittamore, PR Optimisation of pharmacokinetic properties in a neutral series of 11ß-HSD1 inhibitors. Bioorg Med Chem Lett22:6756-61 (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

BDBM50394007

n/a

Name

BDBM50394007

Synonyms:

CHEMBL2158533

Type

Small organic molecule

Emp. Form.

C25H36N4O3

Mol. Mass.

440.5783

SMILES

O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CCCCC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.30.3,30:29:6:4.3.2,THB:8:7:6:4.3.2,30:3:7.29.31:6,2:3:7:31.1.6,2:1:7:4.30.3,(25.8,-38.85,;25.82,-40.4,;27.22,-40.95,;27.24,-42.48,;25.85,-42.85,;24.52,-42.39,;24.48,-40.9,;23.35,-43.69,;22.02,-44.47,;20.68,-43.7,;20.68,-42.16,;19.35,-44.48,;18.02,-43.71,;16.69,-44.48,;16.68,-46.03,;18.02,-46.8,;19.36,-46.03,;20.69,-46.8,;20.69,-48.34,;22.01,-49.1,;23.35,-48.34,;23.35,-46.8,;22.01,-46.02,;15.35,-46.8,;14.02,-46.03,;12.69,-46.79,;12.68,-48.33,;14.01,-49.1,;15.36,-48.34,;24.84,-43.24,;26.25,-43.77,;24.8,-41.65,)|

Structure