BDBM50156458 3-[4-(5-Aminomethyl-2-fluoro-phenyl)-piperidine-1-carbonyl]-5-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-benzoic acid::CHEMBL188068
SMILES: NCc1ccc(F)c(c1)C1CCN(CC1)C(=O)c1cc(cc(c1)-c1nc(no1)-c1cccs1)C(O)=O
InChI Key: InChIKey=DXIKBSYTPKPXJG-UHFFFAOYSA-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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Tryptase (Homo sapiens (Human)) | BDBM50156458 (3-[4-(5-Aminomethyl-2-fluoro-phenyl)-piperidine-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against human mast cell tryptase beta | Bioorg Med Chem Lett 14: 6053-6 (2004) Article DOI: 10.1016/j.bmcl.2004.09.065 BindingDB Entry DOI: 10.7270/Q2KH0MST | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50156458 (3-[4-(5-Aminomethyl-2-fluoro-phenyl)-piperidine-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against cytochrome P450 determined using human liver microsome upon 15 min incubation with probes substrates s-mephenytoin (2C19) | Bioorg Med Chem Lett 14: 6053-6 (2004) Article DOI: 10.1016/j.bmcl.2004.09.065 BindingDB Entry DOI: 10.7270/Q2KH0MST | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50156458 (3-[4-(5-Aminomethyl-2-fluoro-phenyl)-piperidine-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against human Potassium channel HERG | Bioorg Med Chem Lett 14: 6053-6 (2004) Article DOI: 10.1016/j.bmcl.2004.09.065 BindingDB Entry DOI: 10.7270/Q2KH0MST | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50156458 (3-[4-(5-Aminomethyl-2-fluoro-phenyl)-piperidine-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against cytochrome P450 determined using human liver microsome upon 15 min incubation with probes substrates tolbutamide (2C9) | Bioorg Med Chem Lett 14: 6053-6 (2004) Article DOI: 10.1016/j.bmcl.2004.09.065 BindingDB Entry DOI: 10.7270/Q2KH0MST | |||||||||||
More data for this Ligand-Target Pair |