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Target
Smoothened homolog
Ligand
BDBM50107813
Substrate
n/a
Meas. Tech.
ChEMBL_540454 (CHEMBL1029071)
IC50
7520±n/a nM
Citation
Peukert, S; Jain, RK; Geisser, A; Sun, Y; Zhang, R; Bourret, A; Carlson, A; Dasilva, J; Ramamurthy, A; Kelleher, JF Identification and structure-activity relationships of ortho-biphenyl carboxamides as potent Smoothened antagonists inhibiting the Hedgehog signaling pathway. Bioorg Med Chem Lett 19:328-31 (2008) [PubMed] Article
More Info.:
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:
BDBM50107813
Synonyms:
(S)-methyl 5-(6-methyl-4'-(trifluoromethyl)biphenyl-2-ylcarboxamido)-2,3-dihydro-1H-inden-2-ylcarbamate | CHEMBL142450 | {5-[(6-Methyl-4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-indan-2-yl}-carbamic acid methyl ester
Type:
Small organic molecule
Emp. Form.:
C26H23F3N2O3
Mol. Mass.:
468.4676
SMILES:
COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 |r|