Target
Smoothened homolog
Ligand
BDBM50320357
Substrate
n/a
Meas. Tech.
ChEMBL_643731 (CHEMBL1212595)
IC50
17±n/a nM
Citation
 Kaizerman, JAAaron, WAn, SAustin, RBrown, MChong, AHuang, THungate, RJiang, BJohnson, MGLee, GLucas, BSOrf, JRong, MToteva, MMWickramasinghe, DXu, GYe, QZhong, WMcMinn, DL Addressing PXR liabilities of phthalazine-based hedgehog/smoothened antagonists using novel pyridopyridazines. Bioorg Med Chem Lett 20:4607-10 (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:
BDBM50320357
Synonyms:
(4-(4-(3,4-dichlorophenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone | CHEMBL1084836
Type:
Small organic molecule
Emp. Form.:
C25H20Cl2N4O
Mol. Mass.:
463.358
SMILES:
Clc1ccc(cc1Cl)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: