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Target
Smoothened homolog
Ligand
BDBM50268609
Substrate
n/a
Meas. Tech.
ChEMBL_522938 (CHEMBL995460)
IC50
59±n/a nM
Citation
 Miller-Moslin, K; Peukert, S; Jain, RK; McEwan, MA; Karki, R; Llamas, L; Yusuff, N; He, F; Li, Y; Sun, Y; Dai, M; Perez, L; Michael, W; Sheng, T; Lei, H; Zhang, R; Williams, J; Bourret, A; Ramamurthy, A; Yuan, J; Guo, R; Matsumoto, M; Vattay, A; Maniara, W; Amaral, A; Dorsch, M; Kelleher, JF 1-amino-4-benzylphthalazines as orally bioavailable smoothened antagonists with antitumor activity. J Med Chem 52:3954-68 (2009) [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:
BDBM50268609
Synonyms:
6-[(S)-4-(4-Benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitrile | CHEMBL497436
Type:
Small organic molecule
Emp. Form.:
C26H24N6
Mol. Mass.:
420.509
SMILES:
C[C@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: