BDBM50320336 (R)-(4-(4-(4-(hydroxymethyl)phenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone::CHEMBL1084734
SMILES: C[C@@H]1CN(CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12)C(=O)c1ccccc1
InChI Key: InChIKey=DRVZFOGEZROJQL-LJQANCHMSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human)) | BDBM50320336 ((R)-(4-(4-(4-(hydroxymethyl)phenyl)phthalazin-1-yl...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.70 | 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 | |||||||||||||
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human)) | BDBM50320336 ((R)-(4-(4-(4-(hydroxymethyl)phenyl)phthalazin-1-yl...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.70 | 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 |