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Target
Smoothened homolog
Ligand
BDBM50394401
Substrate
n/a
Meas. Tech.
ChEMBL_854593 (CHEMBL2161254)
IC50
8±n/a nM
Citation
 Cheng, D; Han, D; Gao, W; Jing, Q; Jiang, J; Wan, Y; Englund, NP; Tuntland, T; Wu, X; Pan, S Design, synthesis, and structure-activity-relationship of phenyl imidazoles as potent Smoothened antagonists. Bioorg Med Chem Lett 22:6573-6 (2012) [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:
BDBM50394401
Synonyms:
CHEMBL2160071
Type:
Small organic molecule
Emp. Form.:
C30H28ClN5O
Mol. Mass.:
510.029
SMILES:
C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)ccnc2c1 |r|
Structure:
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