Reaction Details Report a problem with these data
Target
Smoothened homolog
Ligand
BDBM50323404
Substrate
n/a
Meas. Tech.
ChEMBL_644049 (CHEMBL1211948)
IC50
1690±n/a nM
Citation
 Li, JJ; Shanmugasundaram, V; Reddy, S; Fleischer, LL; Wang, Z; Smith, Y; Harter, WG; Yue, WS; Swaroop, M; Li, L; Ji, CX; Dettling, D; Osak, B; Fitzgerald, LR; Conradi, R Smoothened antagonists for hair inhibition. Bioorg Med Chem Lett 20:4932-5 (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:
BDBM50323404
Synonyms:
1-((1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)methyl)-4-(4-methoxyphenyl)piperazine | CHEMBL1209047
Type:
Small organic molecule
Emp. Form.:
C23H27FN4O
Mol. Mass.:
394.4851
SMILES:
COc1ccc(cc1)N1CCN(Cc2c(C)nn(c2C)-c2ccc(F)cc2)CC1
Structure:
Search PDB for entries with ligand similarity: