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Target
Sonic hedgehog protein
Ligand
BDBM50393848
Substrate
n/a
Meas. Tech.
ChEMBL_855507 (CHEMBL2162663)
EC50
53.8±n/a nM
Citation
 Seifert, K; Büttner, A; Rigol, S; Eilert, N; Wandel, E; Giannis, A Potent small molecule Hedgehog agonists induce VEGF expression in vitro. Bioorg Med Chem 20:6465-81 (2012) [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:
BDBM50393848
Synonyms:
CHEMBL2160032
Type:
Small organic molecule
Emp. Form.:
C30H31N3O2
Mol. Mass.:
465.586
SMILES:
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1ccc(o1)-c1ccccc1 |r,wU:2.1,wD:5.8,(24.16,-17.39,;25.49,-16.62,;25.49,-15.08,;24.16,-14.32,;24.16,-12.78,;25.49,-12.01,;26.83,-12.78,;26.83,-14.32,;25.49,-10.47,;24.16,-9.7,;22.83,-10.47,;21.5,-9.7,;20.16,-10.47,;20.16,-12.01,;21.5,-12.78,;22.83,-12.01,;21.5,-14.32,;20.16,-15.08,;20.16,-16.62,;21.5,-17.39,;22.83,-16.62,;22.83,-15.08,;26.83,-9.7,;26.83,-8.16,;28.16,-10.47,;29.62,-9.99,;30.53,-11.22,;29.64,-12.48,;28.17,-12.01,;30.38,-13.82,;31.92,-13.86,;32.66,-15.21,;31.86,-16.52,;30.33,-16.49,;29.58,-15.14,)|
Structure:
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