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Target
Smoothened homolog
Ligand
BDBM50539195
Substrate
n/a
Meas. Tech.
ChEMBL_1977730 (CHEMBL4610865)
EC50
3.1±n/a nM
Citation
 Yang, B; Hird, AW; Bodnarchuk, MS; Zheng, X; Dakin, L; Su, Q; Daly, K; Godin, R; Hattersley, MM; Brassil, P; Redmond, S; John Russell, D; Janetka, JW Heteroarylamide smoothened inhibitors: Discovery of N-[2,4-dimethyl-5-(1-methylimidazol-4-yl)phenyl]-4-(2-pyridylmethoxy)benzamide (AZD8542) and N-[5-(1H-imidazol-2-yl)-2,4-dimethyl-phenyl]-4-(2- pyridylmethoxy)benzamide (AZD7254). Bioorg Med Chem 28:0 (2020) [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:
BDBM50539195
Synonyms:
CHEMBL4647379
Type:
Small organic molecule
Emp. Form.:
C27H28N4O2
Mol. Mass.:
440.5368
SMILES:
Cc1nn(C)c(C)c1-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C)cc1C |(5.51,-12.35,;5.9,-10.86,;4.88,-9.72,;5.64,-8.39,;4.87,-7.06,;7.15,-8.7,;8.24,-7.61,;7.31,-10.24,;8.64,-11.01,;9.98,-10.24,;11.3,-11.01,;12.63,-10.24,;13.97,-11.01,;13.97,-12.55,;15.3,-10.24,;15.31,-8.7,;16.63,-7.93,;17.96,-8.7,;19.3,-7.93,;20.63,-8.7,;21.97,-7.93,;21.97,-6.39,;23.3,-5.63,;24.63,-6.39,;24.64,-7.92,;23.31,-8.7,;17.97,-10.23,;16.64,-11.01,;11.3,-12.55,;12.63,-13.31,;9.98,-13.31,;8.64,-12.55,;7.31,-13.32,)|
Structure:
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