Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 324.3 BDBM76605Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sentrin-specific protease 6 (Homo sapiens (Human))	BDBM76605 (2-(4-{[4-(trifluoromethyl)-2-pyridyl]oxy}phenyl)-4...) Show SMILES FC(F)(F)c1ccnc(Oc2ccc(cc2)C2=NCCS2)c1 |t:17| Show InChI InChI=1S/C15H11F3N2OS/c16-15(17,18)11-5-6-19-13(9-11)21-12-3-1-10(2-4-12)14-20-7-8-22-14/h1-6,9H,7-8H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27H1H10
					More data for this Ligand-Target Pair
Sentrin-specific protease 8 (Homo sapiens (Human))	BDBM76605 (2-(4-{[4-(trifluoromethyl)-2-pyridyl]oxy}phenyl)-4...) Show SMILES FC(F)(F)c1ccnc(Oc2ccc(cc2)C2=NCCS2)c1 |t:17| Show InChI InChI=1S/C15H11F3N2OS/c16-15(17,18)11-5-6-19-13(9-11)21-12-3-1-10(2-4-12)14-20-7-8-22-14/h1-6,9H,7-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MS3R7H
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM76605 (2-(4-{[4-(trifluoromethyl)-2-pyridyl]oxy}phenyl)-4...) Show SMILES FC(F)(F)c1ccnc(Oc2ccc(cc2)C2=NCCS2)c1 |t:17| Show InChI InChI=1S/C15H11F3N2OS/c16-15(17,18)11-5-6-19-13(9-11)21-12-3-1-10(2-4-12)14-20-7-8-22-14/h1-6,9H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2RJ4GZT
					More data for this Ligand-Target Pair