| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Smoothened homolog |
|---|
| Ligand | BDBM50320336 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_643731 (CHEMBL1212595) |
|---|
| IC50 | 2.7±n/a nM |
|---|
| Citation |  Kaizerman, JA; Aaron, W; An, S; Austin, R; Brown, M; Chong, A; Huang, T; Hungate, R; Jiang, B; Johnson, MG; Lee, G; Lucas, BS; Orf, J; Rong, M; Toteva, MM; Wickramasinghe, D; Xu, G; Ye, Q; Zhong, W; McMinn, DL Addressing PXR liabilities of phthalazine-based hedgehog/smoothened antagonists using novel pyridopyridazines. Bioorg Med Chem Lett20:4607-10 (2010) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Smoothened homolog |
|---|
| 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: | MAAARPARGPELPLLGLLLLLLLGDPGRGAASSGNATGPGPRSAGGSARRSAAVTGPPPP
LSHCGRAAPCEPLRYNVCLGSVLPYGATSTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWA
VIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDRFPEGCTN
EVQNIKFNSSGQCEVPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAV
TGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGT
MRLGEPTSNETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYF
HLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLI
RGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEW
ERSFRDYVLCQANVTIGLPTKQPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKA
TLLIWRRTWCRLTGQSDDEPKRIKKSKMIAKAFSKRHELLQNPGQELSFSMHTVSHDGPV
AGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDISVTPVATPVPPEEQANLWLVEAE
ISPELQKRLGRKKKRRKRKKEVCPLAPPPELHPPAPAPSTIPRLPQLPRQKCLVAAGAWG
AGDSCRQGAWTLVSNPFCPEPSPPQDPFLPSAPAPVAWAHGRRQGLGPIHSRTNLMDTEL
MDADSDF
|
|
|
|---|
| BDBM50320336 |
|---|
| n/a |
|---|
| Name | BDBM50320336 |
|---|
| Synonyms: | (R)-(4-(4-(4-(hydroxymethyl)phenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone | CHEMBL1084734 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C27H26N4O2 |
|---|
| Mol. Mass. | 438.5209 |
|---|
| SMILES | C[C@@H]1CN(CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12)C(=O)c1ccccc1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
