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Target
Sonic hedgehog protein
Ligand
BDBM50401328
Substrate
n/a
Meas. Tech.
ChEMBL_883326 (CHEMBL2213635)
IC50
4.6±n/a nM
Citation
 Ohashi, T; Oguro, Y; Tanaka, T; Shiokawa, Z; Tanaka, Y; Shibata, S; Sato, Y; Yamakawa, H; Hattori, H; Yamamoto, Y; Kondo, S; Miyamoto, M; Nishihara, M; Ishimura, Y; Tojo, H; Baba, A; Sasaki, S Discovery of the investigational drug TAK-441, a pyrrolo[3,2-c]pyridine derivative, as a highly potent and orally active hedgehog signaling inhibitor: modification of the core skeleton for improved solubility. Bioorg Med Chem 20:5507-17 (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:
BDBM50401328
Synonyms:
CHEMBL2087239
Type:
Small organic molecule
Emp. Form.:
C29H30N4O6
Mol. Mass.:
530.5717
SMILES:
COc1c(C(=O)NC2CCN(CC2)C(=O)CO)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
Structure:
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