BDBM50222867 (S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3-yl)methyl)-2-o-tolylquinazolin-4(3H)-one::6-(4-fluorophenoxy)-3-{[(3S)-1-isopropylpiperidin-3-yl]methyl}-2-(2-methylphenyl)quinazolin-4(3H)-one::CHEMBL242564
SMILES: CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
InChI Key: InChIKey=KYGGFRZALCCXKR-QFIPXVFZSA-N
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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Ghrelin receptor (Ovis aries) | BDBM50222867 ((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation Curated by ChEMBL | Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay | J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ghrelin receptor (Ovis aries) | BDBM50222867 ((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation Curated by ChEMBL | Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay | J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50222867 ((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation Curated by ChEMBL | Assay Description Displacement of [125I]DIO from 5HT2c receptor | J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50222867 ((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation Curated by ChEMBL | Assay Description Inhibition of CYP2D6 | J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2 | |||||||||||
More data for this Ligand-Target Pair |