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Target
Smoothened homolog
Ligand
BDBM50385641
Substrate
n/a
Meas. Tech.
ChEMBL_825977 (CHEMBL2045142)
IC50
35±n/a nM
Citation
 Munchhof, MJ; Li, Q; Shavnya, A; Borzillo, GV; Boyden, TL; Jones, CS; LaGreca, SD; Martinez-Alsina, L; Patel, N; Pelletier, K; Reiter, LA; Robbins, MD; Tkalcevic, GT Discovery of PF-04449913, a Potent and Orally Bioavailable Inhibitor of Smoothened. ACS Med Chem Lett 3:106-111 (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:
BDBM50385641
Synonyms:
CHEMBL2043434
Type:
Small organic molecule
Emp. Form.:
C21H25N5O2
Mol. Mass.:
379.4555
SMILES:
COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H](C2)c2nc3ccccc3[nH]2)cc1 |r|
Structure:
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