BDBM50320342 (S)-(2-methyl-4-(4-(4-(trifluoromethyl)phenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone::CHEMBL1083914
SMILES: C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccccc12
InChI Key: InChIKey=WRGKWTCYKWEMBD-SFHVURJKSA-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)) | BDBM50320342 ((S)-(2-methyl-4-(4-(4-(trifluoromethyl)phenyl)phth...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AMGEN Curated by ChEMBL | Assay Description Inhibition of human SMO expressed in HEPM cells | Bioorg Med Chem Lett 20: 3618-22 (2010) Article DOI: 10.1016/j.bmcl.2010.04.110 BindingDB Entry DOI: 10.7270/Q2WQ03ZQ | |||||||||||
More data for this Ligand-Target Pair |