Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX15B' and Ligand = 'BDBM68853'   

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
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM68853 (1-phenyl-2-[[4-(trifluoromethyl)benzyl]thio]imidaz...) Show SMILES FC(F)(F)c1ccc(CSc2nccn2-c2ccccc2)cc1 Show InChI InChI=1S/C17H13F3N2S/c18-17(19,20)14-8-6-13(7-9-14)12-23-16-21-10-11-22(16)15-4-2-1-3-5-15/h1-11H,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of human 15-LOX-2 assessed as equilibrium dissociation constant from catalytic site by measuring 15-HpETE by Dixon plots and D...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116349 BindingDB Entry DOI: 10.7270/Q2HX1HF0
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM68853 (1-phenyl-2-[[4-(trifluoromethyl)benzyl]thio]imidaz...) Show SMILES FC(F)(F)c1ccc(CSc2nccn2-c2ccccc2)cc1 Show InChI InChI=1S/C17H13F3N2S/c18-17(19,20)14-8-6-13(7-9-14)12-23-16-21-10-11-22(16)15-4-2-1-3-5-15/h1-11H,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 15-LOX-2 assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2021.116349 BindingDB Entry DOI: 10.7270/Q2HX1HF0
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM68853 (1-phenyl-2-[[4-(trifluoromethyl)benzyl]thio]imidaz...) Show SMILES FC(F)(F)c1ccc(CSc2nccn2-c2ccccc2)cc1 Show InChI InChI=1S/C17H13F3N2S/c18-17(19,20)14-8-6-13(7-9-14)12-23-16-21-10-11-22(16)15-4-2-1-3-5-15/h1-11H,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 15-LOX-2 expressed in HEK293T cells assessed as a reduction in 15-HETE production using arachidonic acid as substrate incubated f...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116349 BindingDB Entry DOI: 10.7270/Q2HX1HF0
					More data for this Ligand-Target Pair