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Target
Smoothened homolog
Ligand
BDBM50268494
Substrate
n/a
Meas. Tech.
ChEMBL_522936 (CHEMBL995458)
IC50
48±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:
SMO_MOUSE | Smo | Smoh
Type:
PROTEIN
Mol. Mass.:
87472.73
Organism:
Mus musculus
Description:
ChEMBL_1510377
Residue:
793
Sequence:
MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF
  
Inhibitor
Name:
BDBM50268494
Synonyms:
6-{4-[4-(4-Chlorobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile | CHEMBL496604
Type:
Small organic molecule
Emp. Form.:
C25H21ClN6
Mol. Mass.:
440.927
SMILES:
Clc1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1
Structure:
Search PDB for entries with ligand similarity: