Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50012749   

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
Sialidase-3 (Homo sapiens (Human))	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2020.115563 BindingDB Entry DOI: 10.7270/Q2JS9V42
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50559931 (CHEMBL4745230) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)C(F)(F)F)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2020.115563 BindingDB Entry DOI: 10.7270/Q2JS9V42
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50559926 (CHEMBL4761516) Show SMILES [K;v0+].[H][C@]1([#8][C@@]([#8]-[#6]-[#6]-[#6])([#6]=[#6]-[#6@H]1-[#7]-[#6](-[#6])=O)[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:8| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2020.115563 BindingDB Entry DOI: 10.7270/Q2JS9V42
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50559927 (CHEMBL4746115) Show SMILES [K;v0+].[H][C@]1([#8][C@@]([#8]-[#6](-[#6])-[#6])([#6]=[#6]-[#6@H]1-[#7]-[#6](-[#6])=O)[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:8| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2020.115563 BindingDB Entry DOI: 10.7270/Q2JS9V42
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50559928 (CHEMBL4764169) Show SMILES [K;v0+].[H][C@]1([#8][C@@]([#8]-[#6]-[#6]-[#6]-[#6])([#6]=[#6]-[#6@H]1-[#7]-[#6](-[#6])=O)[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:9| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2020.115563 BindingDB Entry DOI: 10.7270/Q2JS9V42
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50559934 (CHEMBL4750824) Show SMILES [H][C@]1(O[C@](OC(C)C)(C=C[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:8| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2020.115563 BindingDB Entry DOI: 10.7270/Q2JS9V42
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50559930 (CHEMBL4743493) Show SMILES [H][C@]1(O[C@@](SCCCCCCCC)(C=C[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:13| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2020.115563 BindingDB Entry DOI: 10.7270/Q2JS9V42
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50559932 (CHEMBL4744597) Show SMILES [K;v0+].[H][C@]1([#8][C@]([#8]-[#6])([#6]=[#6]-[#6@H]1-[#7]-[#6](-[#6])=O)[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:6| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2020.115563 BindingDB Entry DOI: 10.7270/Q2JS9V42
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50559933 (CHEMBL4751929) Show SMILES [H][C@]1(O[C@](SCC)(C=C[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2020.115563 BindingDB Entry DOI: 10.7270/Q2JS9V42
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50559925 (CHEMBL4779317) Show SMILES [K;v0+].[H][C@]1([#8][C@@]([#8]-[#6]-[#6])([#6]=[#6]-[#6@H]1-[#7]-[#6](-[#6])=O)[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:7| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2020.115563 BindingDB Entry DOI: 10.7270/Q2JS9V42
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50559924 (CHEMBL4792054) Show SMILES [K;v0+].[H][C@]1([#8][C@@]([#8]-[#6])([#6]=[#6]-[#6@H]1-[#7]-[#6](-[#6])=O)[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:6| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2020.115563 BindingDB Entry DOI: 10.7270/Q2JS9V42
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50559929 (CHEMBL4753409) Show SMILES [H][C@]1(O[C@@](SCC)(C=C[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2020.115563 BindingDB Entry DOI: 10.7270/Q2JS9V42
					More data for this Ligand-Target Pair