Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'zhu' and Initial = 'wf'   

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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length sEH (1 to 555 residues) expressed in Escherichia coli BL21 DE3 cells assessed as reduction in 6-methoxyna...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/California/04/2009 (H1N1) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by ...				Bioorg Med Chem 27: 3846-3852 (2019) Article DOI: 10.1016/j.bmc.2019.07.013 BindingDB Entry DOI: 10.7270/Q2V40ZMD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM23971 ((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	266	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells assessed as reduction in amino-...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50541959 (CHEMBL4649188) Show SMILES FC(F)(F)c1coc(NC(=O)CCc2ccc(OCc3ccccc3)cc2)n1 Show InChI InChI=1S/C20H17F3N2O3/c21-20(22,23)17-13-28-19(24-17)25-18(26)11-8-14-6-9-16(10-7-14)27-12-15-4-2-1-3-5-15/h1-7,9-10,13H,8,11-12H2,(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length sEH (1 to 555 residues) expressed in Escherichia coli BL21 DE3 cells assessed as reduction in 6-methoxyna...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50541953 (CHEMBL4644372) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)NCC1CCN(Cc2cccs2)CC1 Show InChI InChI=1S/C27H32N2O2S/c30-27(28-19-23-14-16-29(17-15-23)20-26-7-4-18-32-26)13-10-22-8-11-25(12-9-22)31-21-24-5-2-1-3-6-24/h1-9,11-12,18,23H,10,13-17,19-21H2,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length sEH (1 to 555 residues) expressed in Escherichia coli BL21 DE3 cells assessed as reduction in 6-methoxyna...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50541959 (CHEMBL4649188) Show SMILES FC(F)(F)c1coc(NC(=O)CCc2ccc(OCc3ccccc3)cc2)n1 Show InChI InChI=1S/C20H17F3N2O3/c21-20(22,23)17-13-28-19(24-17)25-18(26)11-8-14-6-9-16(10-7-14)27-12-15-4-2-1-3-5-15/h1-7,9-10,13H,8,11-12H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells assessed as reduction in amino-...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50541960 (CHEMBL4645053) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)NCC1CCN(CCc2ccccc2)C1 Show InChI InChI=1S/C29H34N2O2/c32-29(30-21-27-18-20-31(22-27)19-17-24-7-3-1-4-8-24)16-13-25-11-14-28(15-12-25)33-23-26-9-5-2-6-10-26/h1-12,14-15,27H,13,16-23H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells assessed as reduction in amino-...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50541952 (CHEMBL4646891) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)NCC1CCCN(CCc2ccccc2)C1 Show InChI InChI=1S/C30H36N2O2/c33-30(18-15-26-13-16-29(17-14-26)34-24-27-10-5-2-6-11-27)31-22-28-12-7-20-32(23-28)21-19-25-8-3-1-4-9-25/h1-6,8-11,13-14,16-17,28H,7,12,15,18-24H2,(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells assessed as reduction in amino-...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50541953 (CHEMBL4644372) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)NCC1CCN(Cc2cccs2)CC1 Show InChI InChI=1S/C27H32N2O2S/c30-27(28-19-23-14-16-29(17-15-23)20-26-7-4-18-32-26)13-10-22-8-11-25(12-9-22)31-21-24-5-2-1-3-6-24/h1-9,11-12,18,23H,10,13-17,19-21H2,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells assessed as reduction in amino-...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50541956 (CHEMBL4635127) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)Nc1ccc(CCN2CCOCC2)cc1 Show InChI InChI=1S/C28H32N2O3/c31-28(29-26-11-6-24(7-12-26)16-17-30-18-20-32-21-19-30)15-10-23-8-13-27(14-9-23)33-22-25-4-2-1-3-5-25/h1-9,11-14H,10,15-22H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length sEH (1 to 555 residues) expressed in Escherichia coli BL21 DE3 cells assessed as reduction in 6-methoxyna...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50521984 (CHEMBL4548268) Show SMILES CCCC(=O)c1c(O)cc(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O |c:13,t:20| Show InChI InChI=1S/C21H24O8/c1-5-6-12(23)16-14(25)8-13(24)10(17(16)26)7-11-18(27)15(9(2)22)20(29)21(3,4)19(11)28/h8,24-26,28-29H,5-7H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Anhui/1/2013 (H7N9) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by spectr...				Bioorg Med Chem 27: 3846-3852 (2019) Article DOI: 10.1016/j.bmc.2019.07.013 BindingDB Entry DOI: 10.7270/Q2V40ZMD
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50521983 (CHEMBL4442860) Show SMILES CCCC(=O)c1c(O)c(Cc2c(O)c(C=O)c(O)c(C(=O)CCC)c2O)c(O)c(C=O)c1O Show InChI InChI=1S/C23H24O10/c1-3-5-14(26)16-20(30)10(18(28)12(8-24)22(16)32)7-11-19(29)13(9-25)23(33)17(21(11)31)15(27)6-4-2/h8-9,28-33H,3-7H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Anhui/1/2013 (H7N9) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by spectr...				Bioorg Med Chem 27: 3846-3852 (2019) Article DOI: 10.1016/j.bmc.2019.07.013 BindingDB Entry DOI: 10.7270/Q2V40ZMD
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1)) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by spectr...				Bioorg Med Chem 27: 3846-3852 (2019) Article DOI: 10.1016/j.bmc.2019.07.013 BindingDB Entry DOI: 10.7270/Q2V40ZMD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50541954 (CHEMBL4640292) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)NCCC1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C29H34N2O2/c32-29(30-19-17-26-18-20-31(22-26)21-25-7-3-1-4-8-25)16-13-24-11-14-28(15-12-24)33-23-27-9-5-2-6-10-27/h1-12,14-15,26H,13,16-23H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells assessed as reduction in amino-...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50521985 (CHEMBL4551878) Show SMILES CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c(O)c(Cc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(C)=O)C3=O)c(O)c(C(=O)CCC)c2O)c1O |c:10,34,t:17,41| Show InChI InChI=1S/C43H48O16/c1-9-11-24(46)28-32(50)18(30(48)20(34(28)52)14-22-36(54)26(16(3)44)40(58)42(5,6)38(22)56)13-19-31(49)21(35(53)29(33(19)51)25(47)12-10-2)15-23-37(55)27(17(4)45)41(59)43(7,8)39(23)57/h48-53,56-59H,9-15H2,1-8H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Anhui/1/2013 (H7N9) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by spectr...				Bioorg Med Chem 27: 3846-3852 (2019) Article DOI: 10.1016/j.bmc.2019.07.013 BindingDB Entry DOI: 10.7270/Q2V40ZMD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50541958 (CHEMBL4649795) Show SMILES CCOP(=O)(OCC)c1ccc(NC(=O)CCc2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C26H30NO5P/c1-3-31-33(29,32-4-2)25-17-13-23(14-18-25)27-26(28)19-12-21-10-15-24(16-11-21)30-20-22-8-6-5-7-9-22/h5-11,13-18H,3-4,12,19-20H2,1-2H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells assessed as reduction in amino-...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50541958 (CHEMBL4649795) Show SMILES CCOP(=O)(OCC)c1ccc(NC(=O)CCc2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C26H30NO5P/c1-3-31-33(29,32-4-2)25-17-13-23(14-18-25)27-26(28)19-12-21-10-15-24(16-11-21)30-20-22-8-6-5-7-9-22/h5-11,13-18H,3-4,12,19-20H2,1-2H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length sEH (1 to 555 residues) expressed in Escherichia coli BL21 DE3 cells assessed as reduction in 6-methoxyna...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50068107 (CHEMBL3402237) Show SMILES OCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C16H18O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells using 7-amido-4-methylcoumarin as substrate...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50521984 (CHEMBL4548268) Show SMILES CCCC(=O)c1c(O)cc(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O |c:13,t:20| Show InChI InChI=1S/C21H24O8/c1-5-6-12(23)16-14(25)8-13(24)10(17(16)26)7-11-18(27)15(9(2)22)20(29)21(3,4)19(11)28/h8,24-26,28-29H,5-7H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/California/04/2009 (H1N1) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by ...				Bioorg Med Chem 27: 3846-3852 (2019) Article DOI: 10.1016/j.bmc.2019.07.013 BindingDB Entry DOI: 10.7270/Q2V40ZMD
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Anhui/1/2013 (H7N9) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by spectr...				Bioorg Med Chem 27: 3846-3852 (2019) Article DOI: 10.1016/j.bmc.2019.07.013 BindingDB Entry DOI: 10.7270/Q2V40ZMD
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50541955 (CHEMBL4644992) Show SMILES Brc1cccc(c1)N1CCC(CNC(=O)CCc2ccc(OCc3ccccc3)cc2)C1 Show InChI InChI=1S/C27H29BrN2O2/c28-24-7-4-8-25(17-24)30-16-15-23(19-30)18-29-27(31)14-11-21-9-12-26(13-10-21)32-20-22-5-2-1-3-6-22/h1-10,12-13,17,23H,11,14-16,18-20H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length sEH (1 to 555 residues) expressed in Escherichia coli BL21 DE3 cells assessed as reduction in 6-methoxyna...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50521983 (CHEMBL4442860) Show SMILES CCCC(=O)c1c(O)c(Cc2c(O)c(C=O)c(O)c(C(=O)CCC)c2O)c(O)c(C=O)c1O Show InChI InChI=1S/C23H24O10/c1-3-5-14(26)16-20(30)10(18(28)12(8-24)22(16)32)7-11-19(29)13(9-25)23(33)17(21(11)31)15(27)6-4-2/h8-9,28-33H,3-7H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/California/04/2009 (H1N1) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by ...				Bioorg Med Chem 27: 3846-3852 (2019) Article DOI: 10.1016/j.bmc.2019.07.013 BindingDB Entry DOI: 10.7270/Q2V40ZMD
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50521983 (CHEMBL4442860) Show SMILES CCCC(=O)c1c(O)c(Cc2c(O)c(C=O)c(O)c(C(=O)CCC)c2O)c(O)c(C=O)c1O Show InChI InChI=1S/C23H24O10/c1-3-5-14(26)16-20(30)10(18(28)12(8-24)22(16)32)7-11-19(29)13(9-25)23(33)17(21(11)31)15(27)6-4-2/h8-9,28-33H,3-7H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1)) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by spectr...				Bioorg Med Chem 27: 3846-3852 (2019) Article DOI: 10.1016/j.bmc.2019.07.013 BindingDB Entry DOI: 10.7270/Q2V40ZMD
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50541952 (CHEMBL4646891) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)NCC1CCCN(CCc2ccccc2)C1 Show InChI InChI=1S/C30H36N2O2/c33-30(18-15-26-13-16-29(17-14-26)34-24-27-10-5-2-6-11-27)31-22-28-12-7-20-32(23-28)21-19-25-8-3-1-4-9-25/h1-6,8-11,13-14,16-17,28H,7,12,15,18-24H2,(H,31,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length sEH (1 to 555 residues) expressed in Escherichia coli BL21 DE3 cells assessed as reduction in 6-methoxyna...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50541957 (CHEMBL4637146) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)Nc1ccc(OCCN2CCCCCC2)cc1 Show InChI InChI=1S/C30H36N2O3/c33-30(19-12-25-10-15-29(16-11-25)35-24-26-8-4-3-5-9-26)31-27-13-17-28(18-14-27)34-23-22-32-20-6-1-2-7-21-32/h3-5,8-11,13-18H,1-2,6-7,12,19-24H2,(H,31,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length sEH (1 to 555 residues) expressed in Escherichia coli BL21 DE3 cells assessed as reduction in 6-methoxyna...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50541961 (CHEMBL4632833) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)NCC1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C31H38N2O2/c34-31(18-15-27-13-16-30(17-14-27)35-25-29-10-5-2-6-11-29)32-24-28-19-22-33(23-20-28)21-7-12-26-8-3-1-4-9-26/h1-6,8-11,13-14,16-17,28H,7,12,15,18-25H2,(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells assessed as reduction in amino-...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50521985 (CHEMBL4551878) Show SMILES CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c(O)c(Cc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(C)=O)C3=O)c(O)c(C(=O)CCC)c2O)c1O |c:10,34,t:17,41| Show InChI InChI=1S/C43H48O16/c1-9-11-24(46)28-32(50)18(30(48)20(34(28)52)14-22-36(54)26(16(3)44)40(58)42(5,6)38(22)56)13-19-31(49)21(35(53)29(33(19)51)25(47)12-10-2)15-23-37(55)27(17(4)45)41(59)43(7,8)39(23)57/h48-53,56-59H,9-15H2,1-8H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/California/04/2009 (H1N1) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by ...				Bioorg Med Chem 27: 3846-3852 (2019) Article DOI: 10.1016/j.bmc.2019.07.013 BindingDB Entry DOI: 10.7270/Q2V40ZMD
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50541954 (CHEMBL4640292) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)NCCC1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C29H34N2O2/c32-29(30-19-17-26-18-20-31(22-26)21-25-7-3-1-4-8-25)16-13-24-11-14-28(15-12-24)33-23-27-9-5-2-6-10-27/h1-12,14-15,26H,13,16-23H2,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length sEH (1 to 555 residues) expressed in Escherichia coli BL21 DE3 cells assessed as reduction in 6-methoxyna...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50521984 (CHEMBL4548268) Show SMILES CCCC(=O)c1c(O)cc(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O |c:13,t:20| Show InChI InChI=1S/C21H24O8/c1-5-6-12(23)16-14(25)8-13(24)10(17(16)26)7-11-18(27)15(9(2)22)20(29)21(3,4)19(11)28/h8,24-26,28-29H,5-7H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1)) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by spectr...				Bioorg Med Chem 27: 3846-3852 (2019) Article DOI: 10.1016/j.bmc.2019.07.013 BindingDB Entry DOI: 10.7270/Q2V40ZMD
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50521985 (CHEMBL4551878) Show SMILES CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c(O)c(Cc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(C)=O)C3=O)c(O)c(C(=O)CCC)c2O)c1O |c:10,34,t:17,41| Show InChI InChI=1S/C43H48O16/c1-9-11-24(46)28-32(50)18(30(48)20(34(28)52)14-22-36(54)26(16(3)44)40(58)42(5,6)38(22)56)13-19-31(49)21(35(53)29(33(19)51)25(47)12-10-2)15-23-37(55)27(17(4)45)41(59)43(7,8)39(23)57/h48-53,56-59H,9-15H2,1-8H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1)) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by spectr...				Bioorg Med Chem 27: 3846-3852 (2019) Article DOI: 10.1016/j.bmc.2019.07.013 BindingDB Entry DOI: 10.7270/Q2V40ZMD
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50068107 (CHEMBL3402237) Show SMILES OCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C16H18O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated with enzyme for 10 mins prior to substrate addition by fluorescence based a...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair				3D Structure (crystal)