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Target
Sonic hedgehog protein
Ligand
BDBM50443900
Substrate
n/a
Meas. Tech.
ChEMBL_1277855 (CHEMBL3097789)
IC50
2.3±n/a nM
Citation
 Xin, M; Wen, J; Tang, F; Tu, C; Shen, H; Zhao, X The discovery of novel N-(2-pyrimidinylamino) benzamide derivatives as potent hedgehog signaling pathway inhibitors. Bioorg Med Chem Lett 23:6777-83 (2013) [PubMed]  Article 
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:
BDBM50443900
Synonyms:
CHEMBL3091568
Type:
Small organic molecule
Emp. Form.:
C31H31F3N6O2
Mol. Mass.:
576.612
SMILES:
CN1CCN(Cc2cccc(NC(=O)c3ccc(Nc4ncc(C)c(n4)-c4ccc(OC(F)(F)F)cc4)cc3)c2)CC1
Structure:
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