null
SMILES: CCN1CCN(CCCn2cc(cn2)-c2ccc3n(cnc3c2)-c2cc(O[C@H](C)c3ccccc3Cl)c(s2)C(N)=O)CC1
InChI Key: InChIKey=XWUCTSMJFVUKTR-JOCHJYFZSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50323102 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-(3-(4-eth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2C9 using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate by fluorescence plate reader | Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM50323102 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-(3-(4-eth...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of PLK1 by SPA assay | Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50323102 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-(3-(4-eth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP3A4 using 7-benzyloxyquinoline as substrate by fluorescence plate reader | Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50323102 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-(3-(4-eth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP3A4 using diethoxyfluorescein as substrate by fluorescence plate reader | Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB | |||||||||||
More data for this Ligand-Target Pair |