Reaction Details
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Sonic hedgehog protein
Ligand
BDBM50302139
Substrate
n/a
Meas. Tech.
ChEMBL_598862 (CHEMBL1044694)
IC50
12±n/a nM
Citation
Robarge, KD; Brunton, SA; Castanedo, GM; Cui, Y; Dina, MS; Goldsmith, R; Gould, SE; Guichert, O; Gunzner, JL; Halladay, J; Jia, W; Khojasteh, C; Koehler, MF; Kotkow, K; La, H; Lalonde, RL; Lau, K; Lee, L; Marshall, D; Marsters, JC; Murray, LJ; Qian, C; Rubin, LL; Salphati, L; Stanley, MS; Stibbard, JH; Sutherlin, DP; Ubhayaker, S; Wang, S; Wong, S; Xie, M GDC-0449-a potent inhibitor of the hedgehog pathway. Bioorg Med Chem Lett 19:5576-81 (2009) [PubMed] Article More Info.:
Target
Name:
Sonic hedgehog protein
Synonyms:
Hhg1 | SHH_MOUSE | Shh
Type:
Protein
Mol. Mass.:
47784.50
Organism:
Mus musculus (Mouse)
Description:
Q62226
Residue:
437
Sequence:
MLLLLARCFLVILASSLLVCPGLACGPGRGFGKRRHPKKLTPLAYKQFIPNVAEKTLGASGRYEGKITRNSERFKELTPNYNPDIIFKDEENTGADRLMTQRCKDKLNALAISVMNQWPGVKLRVTEGWDEDGHHSEESLHYEGRAVDITTSDRDRSKYGMLARLAVEAGFDWVYYESKAHIHCSVKAENSVAAKSGGCFPGSATVHLEQGGTKLVKDLRPGDRVLAADDQGRLLYSDFLTFLDRDEGAKKVFYVIETLEPRERLLLTAAHLLFVAPHNDSGPTPGPSALFASRVRPGQRVYVVAERGGDRRLLPAAVHSVTLREEEAGAYAPLTAHGTILINRVLASCYAVIEEHSWAHRAFAPFRLAHALLAALAPARTDGGGGGSIPAAQSATEARGAEPTAGIHWYSQLLYHIGTWLLDSETMHPLGMAVKSS
Inhibitor
Name:
BDBM50302139
Synonyms:
CHEMBL570273 | N-(3-(1H-benzo[d]imidazol-2-yl)-4-chlorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
Type:
Small organic molecule
Emp. Form.:
C21H14ClF3N4O
Mol. Mass.:
430.81
SMILES:
Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1)C(F)(F)F
Structure:
