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Target
Smoothened homolog
Ligand
BDBM50352935
Substrate
n/a
Meas. Tech.
ChEMBL_767699 (CHEMBL1825811)
IC50
26±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:
SMO_MOUSE | Smo | Smoh
Type:
PROTEIN
Mol. Mass.:
87472.73
Organism:
Mus musculus
Description:
ChEMBL_1510377
Residue:
793
Sequence:
MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF
  
Inhibitor
Name:
BDBM50352935
Synonyms:
CHEMBL1824916
Type:
Small organic molecule
Emp. Form.:
C24H17ClN2O
Mol. Mass.:
384.858
SMILES:
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: