Ki Summary

Reaction Details

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Target

11-beta-hydroxysteroid dehydrogenase 1

Ligand

BDBM50400160

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_878465 (CHEMBL2187379)

IC50

21±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

BDBM50400160

n/a

Name

BDBM50400160

Synonyms:

CHEMBL2179442

Type

Small organic molecule

Emp. Form.

C22H32N4O4

Mol. Mass.

416.5139

SMILES

CC(C)Oc1nc(N[C@@H]2CCOC2)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:19.20,wD:26.29,8.7,TLB:27:26:19:23.22.21,18:19:29.25.26:23.22.21,18:19:21:29.26.28,THB:27:26:19.24.23:21,28:26:19:23.22.21,28:22:19:29.25.26,25:24:21:29.26.28,25:26:19.24.23:21,(11.53,-55.4,;10.19,-54.63,;8.86,-55.4,;10.19,-53.09,;8.86,-52.32,;7.52,-53.09,;6.19,-52.32,;4.85,-53.09,;3.52,-52.32,;2.11,-52.94,;1.08,-51.8,;1.85,-50.46,;3.36,-50.79,;6.19,-50.78,;7.52,-50.01,;8.85,-50.77,;10.18,-50,;10.18,-48.46,;11.52,-50.76,;12.85,-49.99,;12.84,-48.24,;11.81,-47.17,;12.46,-45.9,;12.48,-47.34,;13.65,-48.66,;15.06,-48.1,;14.92,-46.47,;16.45,-46.48,;13.88,-45.35,;14.14,-47.69,)|

Structure