Reaction Details Report a problem with these data
Target
Sonic hedgehog protein
Ligand
BDBM50421186
Substrate
n/a
Meas. Tech.
ChEMBL_839706 (CHEMBL2089533)
IC50
2.9±n/a nM
Citation
 Ohashi, T; Oguro, Y; Tanaka, T; Shiokawa, Z; Shibata, S; Sato, Y; Yamakawa, H; Hattori, H; Yamamoto, Y; Kondo, S; Miyamoto, M; Tojo, H; Baba, A; Sasaki, S Discovery of pyrrolo[3,2-c]quinoline-4-one derivatives as novel hedgehog signaling inhibitors. Bioorg Med Chem 20:5496-506 (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:
BDBM50421186
Synonyms:
CHEMBL2086800
Type:
Small organic molecule
Emp. Form.:
C28H30N4O4
Mol. Mass.:
486.5622
SMILES:
COc1c(C(=O)NCCN2CCCC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
Structure:
Search PDB for entries with ligand similarity: