Ki Summary

Reaction Details

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Target

11-beta-hydroxysteroid dehydrogenase type 2

Ligand

BDBM50239606

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1666553 (CHEMBL4016349)

IC50

3500±n/a nM

Citation

Ye, XY; Chen, SY; Wu, S; Yoon, DS; Wang, H; Hong, Z; O'Connor, SP; Li, J; Li, JJ; Kennedy, LJ; Walker, SJ; Nayeem, A; Sheriff, S; Camac, DM; Ramamurthy, V; Morin, PE; Zebo, R; Taylor, JR; Morgan, NN; Ponticiello, RP; Harrity, T; Apedo, A; Golla, R; Seethala, R; Wang, M; Harper, TW; Sleczka, BG; He, B; Kirby, M; Leahy, DK; Li, J; Hanson, RL; Guo, Z; Li, YX; DiMarco, JD; Scaringe, R; Maxwell, B; Moulin, F; Barrish, JC; Gordon, DA; Robl, JA Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11?-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J Med Chem60:4932-4948 (2017) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

11-beta-hydroxysteroid dehydrogenase type 2

Name:

11-beta-hydroxysteroid dehydrogenase type 2

Synonyms:

11-beta-hydroxysteroid dehydrogenase 2 | DHI2_RAT | Hsd11b2 | Hsd11k

Type:

PROTEIN

Mol. Mass.:

43740.05

Organism:

Rattus norvegicus

Description:

ChEMBL_735659

Residue:

400

Sequence:

MERWPWPSGGAWLLVAARALLQLLRSDLRLGRPLLAALALLAALDWLCQRLLPPPAALVV
LAGAGWIALSRLARPPRLPVATRAVLITGCDTGFGKETAKKLDAMGFTVLATVLDLNGPG
ALELRARCSPRLKLLQMDLTKPEDISRVLEITKAHTASTGLWGLVNNAGLNMVVADVELS
PVVTFRECMEVNFFGALELTKGLLPLLRHSRGRIVTVGSPAGDMPYPCLAAYGTSKAAIA
LLMDTFSCELLPWGIKVSIIQPGCFKTEAVTNVNLWEKRKQLLLANLPRELLQAYGEDYI
EHLHGQFLNSLRMALPDLSPVVDAIIDALLAAQPRSRYYTGRGLGLMYFIHHYLPGGLRR
RFLQNFFISHLLPRALRPGQPGPVHDTTQDPNPSPTVSAL

BDBM50239606

n/a

Name

BDBM50239606

Synonyms:

CHEMBL4080667

Type

Small organic molecule

Emp. Form.

C21H27NO3

Mol. Mass.

341.444

SMILES

OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)[C@H]3O)c1ccccc1 |r,wD:17.21,TLB:16:15:8.9.10:12,7:8:14.16.15:10.11.12,7:8:12:14.15.17,THB:16:9:12:14.15.17,18:17:8.9.10:12,17:15:8:10.11.12,17:11:8:14.16.15,19:8:14.16.15:10.11.12,19:8:12:14.15.17,(43.24,-21.55,;43.72,-20.08,;43.03,-18.71,;44.4,-18.01,;45.1,-19.38,;44.88,-16.54,;43.63,-15.64,;46.35,-16.07,;47.49,-17.11,;48.99,-16.68,;48.98,-15.1,;50.02,-13.87,;48.67,-14.34,;48.68,-15.83,;50,-16.32,;51.4,-15.97,;50.4,-17.25,;51.42,-14.44,;52.71,-13.59,;47.48,-18.64,;46.13,-19.39,;46.12,-20.93,;47.44,-21.71,;48.79,-20.95,;48.79,-19.41,)|

Structure