BDBM50328885 4-(3-(2,2,2-trifluoroethylamino)propyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile::CHEMBL1269847
SMILES: FC(F)(F)CNCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
InChI Key: InChIKey=ZJFWVNHALIHVNI-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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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50328885 (4-(3-(2,2,2-trifluoroethylamino)propyl)-6-(3-(trif...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cells | Bioorg Med Chem Lett 20: 6237-41 (2010) Article DOI: 10.1016/j.bmcl.2010.08.101 BindingDB Entry DOI: 10.7270/Q2RR1ZFT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50328885 (4-(3-(2,2,2-trifluoroethylamino)propyl)-6-(3-(trif...) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin K using Z-Phe-Arg-MCA substrate by fluorimetric assay | Bioorg Med Chem Lett 20: 6237-41 (2010) Article DOI: 10.1016/j.bmcl.2010.08.101 BindingDB Entry DOI: 10.7270/Q2RR1ZFT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |