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Target
Smoothened homolog
Ligand
BDBM50388706
Substrate
n/a
Meas. Tech.
ChEMBL_829474 (CHEMBL2061994)
IC50
2.4±n/a nM
Citation
 Yang, B; Hird, AW; Russell, DJ; Fauber, BP; Dakin, LA; Zheng, X; Su, Q; Godin, R; Brassil, P; Devereaux, E; Janetka, JW Discovery of novel hedgehog antagonists from cell-based screening: Isosteric modification of p38 bisamides as potent inhibitors of SMO. Bioorg Med Chem Lett 22:4907-11 (2012) [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:
BDBM50388706
Synonyms:
CHEMBL2059863
Type:
Small organic molecule
Emp. Form.:
C24H19F3N4O2
Mol. Mass.:
452.4285
SMILES:
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc([nH]1)C(F)(F)F
Structure:
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