Reaction Details  Report a problem with these data
Target
Smoothened homolog
Ligand
BDBM50352416
Substrate
n/a
Meas. Tech.
ChEMBL_766764 (CHEMBL1827704)
IC50
1100±n/a nM
Citation
 Ontoria, JM; Bufi, LL; Torrisi, C; Bresciani, A; Giomini, C; Rowley, M; Serafini, S; Bin, H; Hao, W; Steinkühler, C; Jones, P Identification of a series of 4-[3-(quinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperazinyl ureas as potent smoothened antagonist hedgehog pathway inhibitors. Bioorg Med Chem Lett 21:5274-82 (2011) [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:
BDBM50352416
Synonyms:
CHEMBL1823861
Type:
Small organic molecule
Emp. Form.:
C22H28N6O2
Mol. Mass.:
408.4967
SMILES:
Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)NC1CCCCC1
Structure:
Search PDB for entries with ligand similarity: