Ki Summary

Reaction Details

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Target

11-beta-hydroxysteroid dehydrogenase 1

Ligand

BDBM50400152

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_878465 (CHEMBL2187379)

IC50

20±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

BDBM50400152

n/a

Name

BDBM50400152

Synonyms:

CHEMBL2179013

Type

Small organic molecule

Emp. Form.

C23H34N4O4

Mol. Mass.

430.5405

SMILES

CC(C)(CO)Nc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(OC2CCC2)n1 |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,(58.44,-7.18,;58.85,-8.68,;59.61,-7.34,;57.51,-9.44,;56.18,-8.67,;60.18,-9.45,;61.51,-8.68,;61.52,-7.13,;62.85,-6.36,;64.18,-7.13,;65.51,-6.35,;65.51,-4.81,;66.85,-7.12,;68.18,-6.34,;68.17,-4.6,;67.14,-3.52,;67.79,-2.25,;67.81,-3.69,;68.98,-5.01,;70.39,-4.45,;70.25,-2.82,;71.78,-2.84,;69.21,-1.7,;69.47,-4.04,;64.19,-8.68,;65.52,-9.44,;65.52,-10.98,;64.43,-12.07,;65.52,-13.16,;66.61,-12.07,;62.85,-9.45,)|

Structure