Ki Summary

Reaction Details

Report a problem with these data

Target

11-beta-hydroxysteroid dehydrogenase 1

Ligand

BDBM50400139

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

BDBM50400139

n/a

Name

BDBM50400139

Synonyms:

CHEMBL2179449

Type

Small organic molecule

Emp. Form.

C22H32N4O3

Mol. Mass.

400.5145

SMILES

CC(C)(O)CNc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CC1 |r,wU:13.12,wD:20.21,TLB:21:20:13:17.16.15,12:13:23.19.20:17.16.15,12:13:15:23.20.22,THB:21:20:13.18.17:15,22:20:13:17.16.15,22:16:13:23.19.20,19:18:15:23.20.22,19:20:13.18.17:15,(2.27,-22.39,;3.06,-21.06,;3.81,-22.39,;1.72,-20.29,;4.39,-20.29,;5.72,-21.07,;7.06,-20.3,;7.06,-18.75,;8.39,-17.98,;9.72,-18.75,;11.05,-17.97,;11.05,-16.43,;12.39,-18.74,;13.72,-17.96,;13.71,-16.22,;12.68,-15.14,;13.33,-13.87,;13.35,-15.31,;14.52,-16.63,;15.93,-16.07,;15.79,-14.44,;17.32,-14.46,;14.75,-13.32,;15.01,-15.66,;9.73,-20.3,;8.39,-21.07,;11.06,-21.06,;11.84,-22.4,;12.61,-21.06,)|

Structure