Target
Glucocorticoid receptor
Ligand
BDBM50153594
Substrate
n/a
Meas. Tech.
ChEMBL_1561117 (CHEMBL3776841)
EC50
>20000±n/a nM
Citation
 Hirata, KKotoku, MSeki, NMaeba, TMaeda, KHirashima, SSakai, TObika, SHori, AHase, YYamaguchi, TKatsuda, YHata, TMiyagawa, NArita, KNomura, YAsahina, KAratsu, YKamada, MAdachi, TNoguchi, MDoi, SCrowe, PBradley, ESteensma, RTao, HFenn, MBabine, RLi, XThacher, SHashimoto, HShiozaki, M SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR¿ Inhibitor. ACS Med Chem Lett 7:23-7 (2016) [PubMed]  Article 
Target
Name:
Glucocorticoid receptor
Synonyms:
GCR_MOUSE | Glucocorticoid | Glucocorticoid receptor | Grl | Grl1 | Nr3c1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
86050.26
Organism:
MOUSE
Description:
Glucocorticoid 0 MOUSE::P06537
Residue:
783
Sequence:
MDSKESLAPPGRDEVPSSLLGRGRGSVMDLYKTLRGGATVKVSASSPSVAAASQADSKQQRILLDFSKGSASNAQQQQQQQQPQPDLSKAVSLSMGLYMGETETKVMGNDLGYPQQGQLGLSSGETDFRLLEESIANLNRSTSRPENPKSSTPAAGCATPTEKEFPQTHSDPSSEQQNRKSQPGTNGGSVKLYTTDQSTFDILQDLEFSAGSPGKETNESPWRSDLLIDENLLSPLAGEDDPFLLEGDVNEDCKPLILPDTKPKIQDTGDTILSSPSSVALPQVKTEKDDFIELCTPGVIKQEKLGPVYCQASFSGTNIIGNKMSAISVHGVSTSGGQMYHYDMNTASLSQQQDQKPVFNVIPPIPVGSENWNRCQGSGEDNLTSLGAMNFAGRSVFSNGYSSPGMRPDVSSPPSSSSTATGPPPKLCLVCSDEASVCHYGVLTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRYRKCLQAGMNLEARKTKKKIKGIQQATAGVSQDTSENANKTIVPAALPQLTPTLVSLLEVIEPEVLYAGYDSSVPDSAWRIMTTLNMLGGRQVIAAVKWAKAIPGFRNLHLDDQMTLLQYSWMFLMAFALGWRSYRQASGNLLCFAPDLIINEQRMTLPCMYDQCKHMLFISTELQRLQVSYEEYLCMKTLLLLSSVPKEGLKSQELFDEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHDVVENLLSYCFQTFLDKSMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQK
  
Inhibitor
Name:
BDBM50153594
Synonyms:
CHEMBL3774855
Type:
Small organic molecule
Emp. Form.:
C28H39N5O2
Mol. Mass.:
477.6416
SMILES:
CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2CN(C[C@@H]2C(=O)Nc2ccc(C)cc2C)C(C)=O)n1C1CC1 |r,wU:4.3,6.8,12.12,wD:16.18,(2.36,7.33,;2.68,6.14,;1.81,5.27,;4.17,5.74,;4.56,4.26,;5.9,3.48,;5.11,2.21,;3.79,2.92,;5.62,.75,;7.1,.32,;7.14,-1.22,;5.7,-1.71,;5.38,-3.22,;6.42,-4.36,;5.65,-5.7,;4.14,-5.38,;4,-3.86,;2.66,-3.08,;2.67,-1.85,;1.33,-3.85,;-.01,-3.08,;0,-1.54,;-1.33,-.76,;-2.67,-1.53,;-3.73,-.91,;-2.67,-3.07,;-1.34,-3.84,;-1.35,-5.07,;6.27,-7.1,;5.55,-8.1,;7.5,-7.23,;4.75,-.52,;3.21,-.57,;1.93,-1.26,;2.03,.28,)|
Structure:
Search PDB for entries with ligand similarity: