BDBM50323132 (R)-4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phthalazin-1-yl)phenyl acetate::CHEMBL1209189
SMILES: C[C@@H]1CN(CCN1c1nnc(-c2ccc(OC(C)=O)cc2)c2ccccc12)C(=O)c1ccccc1
InChI Key: InChIKey=KBFRCAJUCXSIIS-LJQANCHMSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human)) | BDBM50323132 ((R)-4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phthala...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc. Curated by ChEMBL | Assay Description Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | Bioorg Med Chem Lett 20: 4607-10 (2010) Article DOI: 10.1016/j.bmcl.2010.06.006 BindingDB Entry DOI: 10.7270/Q2H13268 | |||||||||||
More data for this Ligand-Target Pair |