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Target
Transcriptional regulator ERG
Ligand
BDBM50003562
Substrate
n/a
Meas. Tech.
ChEMBL_1335569 (CHEMBL3239424)
IC50
20000±n/a nM
Citation
 Phillips, DP; Gao, W; Yang, Y; Zhang, G; Lerario, IK; Lau, TL; Jiang, J; Wang, X; Nguyen, DG; Bhat, BG; Trotter, C; Sullivan, H; Welzel, G; Landry, J; Chen, Y; Joseph, SB; Li, C; Gordon, WP; Richmond, W; Johnson, K; Bretz, A; Bursulaya, B; Pan, S; McNamara, P; Seidel, HM Discovery of trifluoromethyl(pyrimidin-2-yl)azetidine-2-carboxamides as potent, orally bioavailable TGR5 (GPBAR1) agonists: structure-activity relationships, lead optimization, and chronic in vivo efficacy. J Med Chem 57:3263-82 (2014) [PubMed]  Article 
Target
Name:
Transcriptional regulator ERG
Synonyms:
ERG | ERG_HUMAN | Transforming protein ERG
Type:
PROTEIN
Mol. Mass.:
54615.84
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1335569
Residue:
486
Sequence:
MIQTVPDPAAHIKEALSVVSEDQSLFECAYGTPHLAKTEMTASSSSDYGQTSKMSPRVPQQDWLSQPPARVTIKMECNPSQVNGSRNSPDECSVAKGGKMVGSPDTVGMNYGSYMEEKHMPPPNMTTNERRVIVPADPTLWSTDHVRQWLEWAVKEYGLPDVNILLFQNIDGKELCKMTKDDFQRLTPSYNADILLSHLHYLRETPLPHLTSDDVDKALQNSPRLMHARNTGGAAFIFPNTSVYPEATQRITTRPDLPYEPPRRSAWTGHGHPTPQSKAAQPSPSTVPKTEDQRPQLDPYQILGPTSSRLANPGSGQIQLWQFLLELLSDSSNSSCITWEGTNGEFKMTDPDEVARRWGERKSKPNMNYDKLSRALRYYYDKNIMTKVHGKRYAYKFDFHGIAQALQPHPPESSLYKYPSDLPYMGSYHAHPQKMNFVAPHPPALPVTSSSFFAAPNPYWNSPTGGIYPNTRLPTSHMPSHLGTYY
  
Inhibitor
Name:
BDBM50003562
Synonyms:
CHEMBL3234572
Type:
Small organic molecule
Emp. Form.:
C23H27F3N8O
Mol. Mass.:
488.5087
SMILES:
FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(nc1)C#N)N1CCNCC1 |r|
Structure:
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