Reaction Details Report a problem with these data
Target
Smoothened homolog
Ligand
BDBM50352933
Substrate
n/a
Meas. Tech.
ChEMBL_767695 (CHEMBL1825807)
IC50
33±n/a nM
Citation
 Brown, ML; Aaron, W; Austin, RJ; Chong, A; Huang, T; Jiang, B; Kaizerman, JA; Lee, G; Lucas, BS; McMinn, DL; Orf, J; Rong, M; Toteva, MM; Xu, G; Ye, Q; Zhong, W; Degraffenreid, MR; Wickramasinghe, D; Powers, JP; Hungate, R; Johnson, MG Discovery of amide replacements that improve activity and metabolic stability of a bis-amide smoothened antagonist hit. Bioorg Med Chem Lett 21:5206-9 (2011) [PubMed]  Article 
Target
Name:
Smoothened homolog
Synonyms:
G-protein- coupled-like receptor Smoothened (Smo) | SMO | SMOH | SMO_HUMAN | Smoothened homolog
Type:
Protein
Mol. Mass.:
86415.51
Organism:
Homo sapiens (Human)
Description:
Q99835
Residue:
787
Sequence:
MAAARPARGPELPLLGLLLLLLLGDPGRGAASSGNATGPGPRSAGGSARRSAAVTGPPPPLSHCGRAAPCEPLRYNVCLGSVLPYGATSTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDRFPEGCTNEVQNIKFNSSGQCEVPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRLGEPTSNETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKQPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGQSDDEPKRIKKSKMIAKAFSKRHELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDISVTPVATPVPPEEQANLWLVEAEISPELQKRLGRKKKRRKRKKEVCPLAPPPELHPPAPAPSTIPRLPQLPRQKCLVAAGAWGAGDSCRQGAWTLVSNPFCPEPSPPQDPFLPSAPAPVAWAHGRRQGLGPIHSRTNLMDTELMDADSDF
  
Inhibitor
Name:
BDBM50352933
Synonyms:
CHEMBL1824919
Type:
Small organic molecule
Emp. Form.:
C24H17ClN2O
Mol. Mass.:
384.858
SMILES:
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1cccc(n1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: