Ki Summary

Reaction Details

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Target

11-beta-hydroxysteroid dehydrogenase 1

Ligand

BDBM50400141

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_878465 (CHEMBL2187379)

IC50

22±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

BDBM50400141

n/a

Name

BDBM50400141

Synonyms:

CHEMBL2179447

Type

Small organic molecule

Emp. Form.

C23H32N4O3

Mol. Mass.

412.5252

SMILES

O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4CCOCC4)nc1C1CC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:28.3.4,8:7:6.29.1:28.3.4,8:7:4:6.1.2,THB:0:1:7.27.28:4,2:1:7:28.3.4,2:3:7:6.29.1,29:27:4:6.1.2,29:1:7.27.28:4,(62.22,-3.09,;60.68,-3.08,;59.64,-1.96,;58.23,-2.5,;57.57,-3.78,;58.61,-4.85,;59.91,-4.3,;58.62,-6.6,;57.28,-7.37,;55.95,-6.61,;55.94,-5.07,;54.62,-7.38,;53.28,-6.62,;51.95,-7.39,;51.95,-8.93,;50.62,-9.7,;49.28,-8.93,;49.29,-7.38,;47.97,-6.61,;46.63,-7.37,;46.62,-8.92,;47.96,-9.7,;53.28,-9.7,;54.62,-8.93,;55.96,-9.7,;56.73,-11.04,;57.5,-9.7,;59.41,-5.27,;58.25,-3.95,;60.83,-4.71,)|

Structure