Reaction Details Report a problem with these data
Target
Smoothened homolog
Ligand
BDBM50320347
Substrate
n/a
Meas. Tech.
ChEMBL_633891 (CHEMBL1120457)
IC50
213±n/a nM
Citation
 Lucas, BS; Aaron, W; An, S; Austin, RJ; Brown, M; Chan, H; Chong, A; Hungate, R; Huang, T; Jiang, B; Johnson, MG; Kaizerman, JA; Lee, G; McMinn, DL; Orf, J; Powers, JP; Rong, M; Toteva, MM; Uyeda, C; Wickramasinghe, D; Xu, G; Ye, Q; Zhong, W Design of 1-piperazinyl-4-arylphthalazines as potent Smoothened antagonists. Bioorg Med Chem Lett 20:3618-22 (2010) [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:
BDBM50320347
Synonyms:
(S)-(2-methyl-4-(4-(pyridin-3-yl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone | CHEMBL1084241
Type:
Small organic molecule
Emp. Form.:
C25H23N5O
Mol. Mass.:
409.483
SMILES:
C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2cccnc2)c2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: