Compile Data Set for Download or QSAR

Found 189 hits with Last Name = 'tokiwa' and Initial = 'h'   

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
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50032675 (4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...) Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of 9-cis-[11,12-3H]-retinoic acid from human RXRalpha LBD incubated for overnight by scintillation counting method				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50032675 (4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...) Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of 9-cis-[11,12-3H]-retinoic acid from human RXRalpha LBD incubated for overnight by scintillation counting method				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50339081 (6-[Ethyl-(3-isobutoxy-4-isopropylphenyl)amino]nico...) Show SMILES CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-18(15(4)5)19(11-17)26-13-14(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50339081 (6-[Ethyl-(3-isobutoxy-4-isopropylphenyl)amino]nico...) Show SMILES CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-18(15(4)5)19(11-17)26-13-14(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50530499 (CHEMBL4449685) Show SMILES Cc1cc2c(cc1-c1cc3cc(C(O)=O)c(=O)oc3cc1O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C25H26O5/c1-13-8-18-19(25(4,5)7-6-24(18,2)3)11-15(13)16-9-14-10-17(22(27)28)23(29)30-21(14)12-20(16)26/h8-12,26H,6-7H2,1-5H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of 9-cis-[11,12-3H]-retinoic acid from human RXRalpha LBD incubated for overnight by scintillation counting method				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50530499 (CHEMBL4449685) Show SMILES Cc1cc2c(cc1-c1cc3cc(C(O)=O)c(=O)oc3cc1O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C25H26O5/c1-13-8-18-19(25(4,5)7-6-24(18,2)3)11-15(13)16-9-14-10-17(22(27)28)23(29)30-21(14)12-20(16)26/h8-12,26H,6-7H2,1-5H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of 9-cis-[11,12-3H]-retinoic acid from human RXRalpha LBD incubated for overnight by scintillation counting method				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50032675 (4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...) Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	379	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50032675 (4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...) Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	379	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM31892 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	583	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM31892 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	583	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50210259 ((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hex...) Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O Show InChI InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents	Article PubMed	6.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50210259 ((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hex...) Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O Show InChI InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents	Article PubMed	6.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Transrepression of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-NCoR and MH100(UAS) X 4tk-LUC reporter plasmid asse...				J Med Chem 61: 6658-6673 (2018) Article DOI: 10.1021/acs.jmedchem.8b00427 BindingDB Entry DOI: 10.7270/Q2M04801
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50281390 (CHEMBL4159525) Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC#C[C@@H](O)C12CC3CC(CC(C3)C1)C2 |r,TLB:33:34:32.31.37:38,THB:35:34:31:37.36.38,35:36:33.34.39:31,33:32:34.39.35:38| Show InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-24-14-25(20-35)16-26(15-24)21-35)30-11-12-31-27(7-5-13-34(30,31)3)9-10-28-17-29(36)18-32(37)23(28)2/h9-10,22,24-26,29-33,36-38H,2,5-7,11-21H2,1,3H3/b27-9+,28-10-/t22-,24?,25?,26?,29-,30-,31+,32+,33-,34-,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Transrepression of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-NCoR and MH100(UAS) X 4tk-LUC reporter plasmid asse...				J Med Chem 61: 6658-6673 (2018) Article DOI: 10.1021/acs.jmedchem.8b00427 BindingDB Entry DOI: 10.7270/Q2M04801
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50135039 (CHEMBL3745849) Show SMILES [H][C@@]12[#6]-[#6]-[#6@H](C#CC#C[#6@@H](-[#8])C34[#6]-[#6]-5-[#6]-[#6](-[#6]-[#6](-[#6]-5)-[#6]3)-[#6]4)[C@@]1([#6])[#6]-[#6]-[#6]\[#6]2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r,TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15| Show InChI InChI=1S/C34H44O3/c1-22-30(35)17-23(18-31(22)36)9-10-27-6-5-13-33(2)28(11-12-29(27)33)7-3-4-8-32(37)34-19-24-14-25(20-34)16-26(15-24)21-34/h9-10,24-26,28-32,35-37H,1,5-6,11-21H2,2H3/b27-10+/t24?,25?,26?,28-,29-,30+,31+,32+,33+,34?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Rikkyo University Curated by ChEMBL					Assay Description Agonist activity at VDR (unknown origin) expressed in HEK293 cells cotransfected with NCoR assessed as decrease in NCoR recruitment by two-hybrid ass...				J Med Chem 58: 9510-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00792 BindingDB Entry DOI: 10.7270/Q22V2HZC
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Rikkyo University Curated by ChEMBL					Assay Description Agonist activity at VDR (unknown origin) expressed in HEK293 cells cotransfected with NCoR assessed as decrease in NCoR recruitment by two-hybrid ass...				J Med Chem 58: 9510-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00792 BindingDB Entry DOI: 10.7270/Q22V2HZC
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50281390 (CHEMBL4159525) Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC#C[C@@H](O)C12CC3CC(CC(C3)C1)C2 |r,TLB:33:34:32.31.37:38,THB:35:34:31:37.36.38,35:36:33.34.39:31,33:32:34.39.35:38| Show InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-24-14-25(20-35)16-26(15-24)21-35)30-11-12-31-27(7-5-13-34(30,31)3)9-10-28-17-29(36)18-32(37)23(28)2/h9-10,22,24-26,29-33,36-38H,2,5-7,11-21H2,1,3H3/b27-9+,28-10-/t22-,24?,25?,26?,29-,30-,31+,32+,33-,34-,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [26,27-Methyl-3H]-1,25(OH)2D3 from recombinant human GST-tagged VDR LBD (140 to 427 residues) expressed in Escherichia coli BL21 prei...				J Med Chem 61: 6658-6673 (2018) Article DOI: 10.1021/acs.jmedchem.8b00427 BindingDB Entry DOI: 10.7270/Q2M04801
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Rikkyo University Curated by ChEMBL					Assay Description Displacement of [3H]-1,25(OH)2D3 from recombinant human VDR ligand binding domain				J Med Chem 58: 9510-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00792 BindingDB Entry DOI: 10.7270/Q22V2HZC
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50182249 (CHEMBL3818159) Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13| Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/duck/Tsukuba/28/2005(H6N2)) neuraminidase N2 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/duck/Tsukuba/67/2005(H1N1)) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50015318 (CHEMBL3263871) Show SMILES [H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]C#C[#6@@H](-[#8])C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2 |r,THB:35:34:31:37.36.38,35:36:33.34.39:31,38:36:33:39.30.31,38:30:33:37.35.36| Show InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-25-14-26(20-35)16-27(15-25)21-35)29-11-12-30-28(7-5-13-34(29,30)3)10-9-24-17-31(36)23(2)32(37)18-24/h9-10,22,25-27,29-33,36-38H,2,5-7,11-21H2,1,3H3/b28-10+/t22-,25?,26?,27?,29-,30+,31-,32-,33-,34-,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Rikkyo University Curated by ChEMBL					Assay Description Displacement of [3H]-1,25(OH)2D3 from GST-fused human VDR-LBD expressed in Escherichia coli BL21				J Med Chem 57: 4073-87 (2014) Article DOI: 10.1021/jm401989c BindingDB Entry DOI: 10.7270/Q2ZS2Z2G
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50182249 (CHEMBL3818159) Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13| Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/duck/Tsukuba/394/2005(H5N3)) neuraminidase N3 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins foll...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/duck/Tsukuba/20/2007(H8N4)) neuraminidase N4 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50182249 (CHEMBL3818159) Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13| Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/duck/Tsukuba/700/2007(H7N7)) neuraminidase N7 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins foll...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50182249 (CHEMBL3818159) Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13| Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/duck/Shiga/8/2004(H4N6)) neuraminidase N6 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Yamaguchi/20/06(H1N1) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by ...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50182249 (CHEMBL3818159) Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13| Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/duck/Tsukuba/441/05(H11N9) neuraminidase N9 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followe...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/California/04/2009(H1N1)) neuraminidase N1 V149I mutant activity using 4MU-Neu5Ac as substrate preincubated for 15...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/mallard/Hokkaido/24/2009(H5N1)) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins f...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Narita/1/2009(H1N1)) neuraminidase N1 V149I mutant activity using 4MU-Neu5Ac as substrate preincubated for 15 mins...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50281389 (CHEMBL4173602) Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC#C[C@H](O)C12CC3CC(CC(C3)C1)C2 |r,TLB:33:34:32.31.37:38,THB:35:34:31:37.36.38,35:36:33.34.39:31,33:32:34.39.35:38| Show InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-24-14-25(20-35)16-26(15-24)21-35)30-11-12-31-27(7-5-13-34(30,31)3)9-10-28-17-29(36)18-32(37)23(28)2/h9-10,22,24-26,29-33,36-38H,2,5-7,11-21H2,1,3H3/b27-9+,28-10-/t22-,24?,25?,26?,29-,30-,31+,32+,33+,34-,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Transrepression of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-NCoR and MH100(UAS) X 4tk-LUC reporter plasmid asse...				J Med Chem 61: 6658-6673 (2018) Article DOI: 10.1021/acs.jmedchem.8b00427 BindingDB Entry DOI: 10.7270/Q2M04801
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50182249 (CHEMBL3818159) Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13| Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Aichi/102/2008(H3N2)) neuraminidase N2 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50182249 (CHEMBL3818159) Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13| Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/duck/Tsukuba/20/2007(H8N4)) neuraminidase N4 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/duck/Chiba/13/06(H12N5) neuraminidase N5 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed b...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/duck/Tsukuba/394/2005(H5N3)) neuraminidase N3 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins foll...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/duck/Tsukuba/28/2005(H6N2)) neuraminidase N2 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50182248 (CHEMBL3818654) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)C1CC1 |r,c:9| Show InChI InChI=1S/C16H25N5O7.C2HF3O2/c1-6(22)20-11-8(21-16(17)18)4-10(15(26)27)28-13(11)12(24)9(23)5-19-14(25)7-2-3-7;3-2(4,5)1(6)7/h4,7-9,11-13,23-24H,2-3,5H2,1H3,(H,19,25)(H,20,22)(H,26,27)(H4,17,18,21);(H,6,7)/t8-,9+,11+,12+,13+;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/duck/Tsukuba/28/2005(H6N2)) neuraminidase N2 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Kitakyushu/10/06(H1N1) neuraminidase N1 H274Y mutant activity using 4MU-Neu5Ac as substrate preincubated for 15 min...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50182249 (CHEMBL3818159) Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13| Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/duck/Chiba/13/06(H12N5) neuraminidase N5 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed b...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50182249 (CHEMBL3818159) Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13| Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Yamaguchi/20/06(H1N1) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by ...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50292705 ((25R)-25-Adamantyl-1alpha,25-dihydroxy-2-methylene...) Show SMILES [#6]-[#6@@H](\[#6]=[#6]\[#6]-[#6@@H](-[#8])C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r,TLB:10:11:9.8.14:15,THB:12:11:8:14.13.15,12:13:10.11.16:8,10:9:11.16.12:15| Show InChI InChI=1S/C35H52O3/c1-22(6-4-8-33(38)35-19-25-14-26(20-35)16-27(15-25)21-35)29-11-12-30-28(7-5-13-34(29,30)3)10-9-24-17-31(36)23(2)32(37)18-24/h4,6,9-10,22,25-27,29-33,36-38H,2,5,7-8,11-21H2,1,3H3/b6-4+,28-10+/t22-,25?,26?,27?,29+,30-,31+,32+,33+,34+,35?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Antagonist activity at VDR expressed in COS7 cells assessed as inhibition of 1,25-Dihydroxyvitamin D3-induced response by transient transcription ass...				J Med Chem 51: 5320-9 (2008) Article DOI: 10.1021/jm8004477 BindingDB Entry DOI: 10.7270/Q28C9W2Z
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50281389 (CHEMBL4173602) Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC#C[C@H](O)C12CC3CC(CC(C3)C1)C2 |r,TLB:33:34:32.31.37:38,THB:35:34:31:37.36.38,35:36:33.34.39:31,33:32:34.39.35:38| Show InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-24-14-25(20-35)16-26(15-24)21-35)30-11-12-31-27(7-5-13-34(30,31)3)9-10-28-17-29(36)18-32(37)23(28)2/h9-10,22,24-26,29-33,36-38H,2,5-7,11-21H2,1,3H3/b27-9+,28-10-/t22-,24?,25?,26?,29-,30-,31+,32+,33+,34-,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [26,27-Methyl-3H]-1,25(OH)2D3 from recombinant human GST-tagged VDR LBD (140 to 427 residues) expressed in Escherichia coli BL21 prei...				J Med Chem 61: 6658-6673 (2018) Article DOI: 10.1021/acs.jmedchem.8b00427 BindingDB Entry DOI: 10.7270/Q2M04801
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50182249 (CHEMBL3818159) Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13| Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/duck/Tsukuba/67/2005(H1N1)) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/duck/Tsukuba/700/2007(H7N7)) neuraminidase N7 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins foll...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50182248 (CHEMBL3818654) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)C1CC1 |r,c:9| Show InChI InChI=1S/C16H25N5O7.C2HF3O2/c1-6(22)20-11-8(21-16(17)18)4-10(15(26)27)28-13(11)12(24)9(23)5-19-14(25)7-2-3-7;3-2(4,5)1(6)7/h4,7-9,11-13,23-24H,2-3,5H2,1H3,(H,19,25)(H,20,22)(H,26,27)(H4,17,18,21);(H,6,7)/t8-,9+,11+,12+,13+;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/duck/Chiba/13/06(H12N5) neuraminidase N5 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed b...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50135039 (CHEMBL3745849) Show SMILES [H][C@@]12[#6]-[#6]-[#6@H](C#CC#C[#6@@H](-[#8])C34[#6]-[#6]-5-[#6]-[#6](-[#6]-[#6](-[#6]-5)-[#6]3)-[#6]4)[C@@]1([#6])[#6]-[#6]-[#6]\[#6]2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r,TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15| Show InChI InChI=1S/C34H44O3/c1-22-30(35)17-23(18-31(22)36)9-10-27-6-5-13-33(2)28(11-12-29(27)33)7-3-4-8-32(37)34-19-24-14-25(20-34)16-26(15-24)21-34/h9-10,24-26,28-32,35-37H,1,5-6,11-21H2,2H3/b27-10+/t24?,25?,26?,28-,29-,30+,31+,32+,33+,34?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Rikkyo University Curated by ChEMBL					Assay Description Displacement of [3H]-1,25(OH)2D3 from recombinant human VDR ligand binding domain				J Med Chem 58: 9510-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00792 BindingDB Entry DOI: 10.7270/Q22V2HZC
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50182249 (CHEMBL3818159) Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13| Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/California/04/2009(H1N1)) neuraminidase N1 V149I mutant activity using 4MU-Neu5Ac as substrate preincubated for 15...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Thammasat University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/duck/Tsukuba/441/05(H11N9) neuraminidase N9 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followe...				J Med Chem 59: 4563-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01863 BindingDB Entry DOI: 10.7270/Q2QN68QP
					More data for this Ligand-Target Pair				3D Structure (crystal)

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