Ki Summary

Reaction Details

Report a problem with these data

Target

11-beta-hydroxysteroid dehydrogenase 1

Ligand

BDBM50400164

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_878465 (CHEMBL2187379)

IC50

32±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

BDBM50400164

n/a

Name

BDBM50400164

Synonyms:

CHEMBL2179029

Type

Small organic molecule

Emp. Form.

C24H36N4O3

Mol. Mass.

428.5676

SMILES

CC(C)(CO)Nc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |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,(4.54,-36.94,;4.95,-38.44,;5.71,-37.1,;3.62,-39.21,;2.28,-38.44,;6.28,-39.21,;7.62,-38.44,;7.62,-36.9,;8.95,-36.13,;10.28,-36.89,;11.61,-36.12,;11.61,-34.58,;12.95,-36.88,;14.28,-36.1,;14.27,-34.36,;13.24,-33.29,;13.89,-32.01,;13.91,-33.45,;15.08,-34.78,;16.49,-34.22,;16.35,-32.59,;17.88,-32.6,;15.31,-31.47,;15.57,-33.8,;10.29,-38.44,;8.95,-39.21,;11.62,-39.21,;11.79,-40.74,;13.3,-41.05,;14.06,-39.72,;13.03,-38.58,)|

Structure