Compile Data Set for Download or QSAR

Found 13 hits of ic50 for UniProtKB: G1FEK8   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Genome polyprotein (Norovirus Hu/GII.4-2002/WeertE022/2002/NL)	BDBM50273967 (CHEMBL2441741) Show SMILES [H][C@@]1(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)OCc2ccccc2)C=O)CCNC1=O |r| Show InChI InChI=1S/C34H40N4O6/c1-22(2)17-29(32(41)36-27(20-39)18-26-15-16-35-31(26)40)37-33(42)30(38-34(43)44-21-23-9-4-3-5-10-23)19-25-13-8-12-24-11-6-7-14-28(24)25/h3-14,20,22,26-27,29-30H,15-19,21H2,1-2H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t26-,27-,29-,30-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...				Bioorg Med Chem Lett 28: 2165-2170 (2018) Article DOI: 10.1016/j.bmcl.2018.05.012 BindingDB Entry DOI: 10.7270/Q2TH8Q6N
					More data for this Ligand-Target Pair
Genome polyprotein (Norovirus Hu/GII.4-2002/WeertE022/2002/NL)	BDBM50273966 (CHEMBL4129318 | US11859014, Compound 19) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O |r| Show InChI InChI=1S/C35H42N4O6/c1-23(2)18-30(33(42)37-28(21-40)19-27-15-9-17-36-32(27)41)38-34(43)31(39-35(44)45-22-24-10-4-3-5-11-24)20-26-14-8-13-25-12-6-7-16-29(25)26/h3-8,10-14,16,21,23,27-28,30-31H,9,15,17-20,22H2,1-2H3,(H,36,41)(H,37,42)(H,38,43)(H,39,44)/t27-,28-,30-,31-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...				Bioorg Med Chem Lett 28: 2165-2170 (2018) Article DOI: 10.1016/j.bmcl.2018.05.012 BindingDB Entry DOI: 10.7270/Q2TH8Q6N
					More data for this Ligand-Target Pair
Genome polyprotein (Norovirus Hu/GII.4-2002/WeertE022/2002/NL)	BDBM50273982 (CHEMBL4128485) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@H](CO)CCC(=O)N1CCC1 |r| Show InChI InChI=1S/C35H44N4O6/c1-24(2)20-30(33(42)36-28(22-40)16-17-32(41)39-18-9-19-39)37-34(43)31(38-35(44)45-23-25-10-4-3-5-11-25)21-27-14-8-13-26-12-6-7-15-29(26)27/h3-8,10-15,24,28,30-31,40H,9,16-23H2,1-2H3,(H,36,42)(H,37,43)(H,38,44)/t28-,30-,31-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	502	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...				Bioorg Med Chem Lett 28: 2165-2170 (2018) Article DOI: 10.1016/j.bmcl.2018.05.012 BindingDB Entry DOI: 10.7270/Q2TH8Q6N
					More data for this Ligand-Target Pair
Genome polyprotein (Norovirus Hu/GII.4-2002/WeertE022/2002/NL)	BDBM50273979 (CHEMBL4128616 | US11859014, Compound 36) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)\C=C(/C#N)C(N)=O |r| Show InChI InChI=1S/C38H44N6O6/c1-24(2)18-32(36(47)42-30(20-29(22-39)34(40)45)19-28-15-9-17-41-35(28)46)43-37(48)33(44-38(49)50-23-25-10-4-3-5-11-25)21-27-14-8-13-26-12-6-7-16-31(26)27/h3-8,10-14,16,20,24,28,30,32-33H,9,15,17-19,21,23H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)(H,43,48)(H,44,49)/b29-20+/t28-,30-,32-,33-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...				Bioorg Med Chem Lett 28: 2165-2170 (2018) Article DOI: 10.1016/j.bmcl.2018.05.012 BindingDB Entry DOI: 10.7270/Q2TH8Q6N
					More data for this Ligand-Target Pair
Genome polyprotein (Norovirus Hu/GII.4-2002/WeertE022/2002/NL)	BDBM50273978 (CHEMBL4128223) Show SMILES [Na;v0+].[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc2ccccc12)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-[#6]-1=O)-[#6](-[#8])S([#8-])(=O)=O |r| Show InChI InChI=1S/C35H44N4O9S.Na/c1-22(2)18-28(32(41)38-30(34(43)49(45,46)47)20-26-15-9-17-36-31(26)40)37-33(42)29(39-35(44)48-21-23-10-4-3-5-11-23)19-25-14-8-13-24-12-6-7-16-27(24)25;/h3-8,10-14,16,22,26,28-30,34,43H,9,15,17-21H2,1-2H3,(H,36,40)(H,37,42)(H,38,41)(H,39,44)(H,45,46,47);/q;+1/p-1/t26-,28-,29-,30-,34?;/m0./s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...				Bioorg Med Chem Lett 28: 2165-2170 (2018) Article DOI: 10.1016/j.bmcl.2018.05.012 BindingDB Entry DOI: 10.7270/Q2TH8Q6N
					More data for this Ligand-Target Pair
Genome polyprotein (Norovirus Hu/GII.4-2002/WeertE022/2002/NL)	BDBM50273980 (CHEMBL4127236 | US11859014, Compound 39) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C(F)(F)F |r| Show InChI InChI=1S/C36H41F3N4O6/c1-22(2)18-29(33(46)41-28(31(44)36(37,38)39)20-26-15-9-17-40-32(26)45)42-34(47)30(43-35(48)49-21-23-10-4-3-5-11-23)19-25-14-8-13-24-12-6-7-16-27(24)25/h3-8,10-14,16,22,26,28-30H,9,15,17-21H2,1-2H3,(H,40,45)(H,41,46)(H,42,47)(H,43,48)/t26-,28-,29-,30-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...				Bioorg Med Chem Lett 28: 2165-2170 (2018) Article DOI: 10.1016/j.bmcl.2018.05.012 BindingDB Entry DOI: 10.7270/Q2TH8Q6N
					More data for this Ligand-Target Pair
Genome polyprotein (Norovirus Hu/GII.4-2002/WeertE022/2002/NL)	BDBM50273968 (CHEMBL4127247) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@H](CO)Cn1ccnn1 |r| Show InChI InChI=1S/C32H38N6O5/c1-22(2)17-28(30(40)34-26(20-39)19-38-16-15-33-37-38)35-31(41)29(36-32(42)43-21-23-9-4-3-5-10-23)18-25-13-8-12-24-11-6-7-14-27(24)25/h3-16,22,26,28-29,39H,17-21H2,1-2H3,(H,34,40)(H,35,41)(H,36,42)/t26-,28-,29-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...				Bioorg Med Chem Lett 28: 2165-2170 (2018) Article DOI: 10.1016/j.bmcl.2018.05.012 BindingDB Entry DOI: 10.7270/Q2TH8Q6N
					More data for this Ligand-Target Pair
Genome polyprotein (Norovirus Hu/GII.4-2002/WeertE022/2002/NL)	BDBM50273971 (CHEMBL4129451) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@H](CS)C[C@@H]1CCNC1=O |r| Show InChI InChI=1S/C34H42N4O5S/c1-22(2)17-29(32(40)36-27(21-44)18-26-15-16-35-31(26)39)37-33(41)30(38-34(42)43-20-23-9-4-3-5-10-23)19-25-13-8-12-24-11-6-7-14-28(24)25/h3-14,22,26-27,29-30,44H,15-21H2,1-2H3,(H,35,39)(H,36,40)(H,37,41)(H,38,42)/t26-,27-,29-,30-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...				Bioorg Med Chem Lett 28: 2165-2170 (2018) Article DOI: 10.1016/j.bmcl.2018.05.012 BindingDB Entry DOI: 10.7270/Q2TH8Q6N
					More data for this Ligand-Target Pair
Genome polyprotein (Norovirus Hu/GII.4-2002/WeertE022/2002/NL)	BDBM50273970 (CHEMBL4128073) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)NC(C[C@@H]1CCNC1=O)C1OC1S(C)(=O)=O |r| Show InChI InChI=1S/C36H44N4O8S/c1-22(2)18-29(33(42)38-28(20-26-16-17-37-32(26)41)31-35(48-31)49(3,45)46)39-34(43)30(40-36(44)47-21-23-10-5-4-6-11-23)19-25-14-9-13-24-12-7-8-15-27(24)25/h4-15,22,26,28-31,35H,16-21H2,1-3H3,(H,37,41)(H,38,42)(H,39,43)(H,40,44)/t26-,28?,29-,30-,31?,35?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...				Bioorg Med Chem Lett 28: 2165-2170 (2018) Article DOI: 10.1016/j.bmcl.2018.05.012 BindingDB Entry DOI: 10.7270/Q2TH8Q6N
					More data for this Ligand-Target Pair
Genome polyprotein (Norovirus Hu/GII.4-2002/WeertE022/2002/NL)	BDBM50273997 (CHEMBL4125865) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@H](CO)CNC(=O)N1CCC1 |r| Show InChI InChI=1S/C34H43N5O6/c1-23(2)18-29(31(41)36-27(21-40)20-35-33(43)39-16-9-17-39)37-32(42)30(38-34(44)45-22-24-10-4-3-5-11-24)19-26-14-8-13-25-12-6-7-15-28(25)26/h3-8,10-15,23,27,29-30,40H,9,16-22H2,1-2H3,(H,35,43)(H,36,41)(H,37,42)(H,38,44)/t27-,29-,30-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...				Bioorg Med Chem Lett 28: 2165-2170 (2018) Article DOI: 10.1016/j.bmcl.2018.05.012 BindingDB Entry DOI: 10.7270/Q2TH8Q6N
					More data for this Ligand-Target Pair
Genome polyprotein (Norovirus Hu/GII.4-2002/WeertE022/2002/NL)	BDBM50273969 (CHEMBL4126005) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)NC(C[C@@H]1CCNC1=O)\C=C\C=O |r| Show InChI InChI=1S/C36H42N4O6/c1-24(2)20-31(34(43)38-29(15-9-19-41)21-28-17-18-37-33(28)42)39-35(44)32(40-36(45)46-23-25-10-4-3-5-11-25)22-27-14-8-13-26-12-6-7-16-30(26)27/h3-16,19,24,28-29,31-32H,17-18,20-23H2,1-2H3,(H,37,42)(H,38,43)(H,39,44)(H,40,45)/b15-9+/t28-,29?,31-,32-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...				Bioorg Med Chem Lett 28: 2165-2170 (2018) Article DOI: 10.1016/j.bmcl.2018.05.012 BindingDB Entry DOI: 10.7270/Q2TH8Q6N
					More data for this Ligand-Target Pair
Genome polyprotein (Norovirus Hu/GII.4-2002/WeertE022/2002/NL)	BDBM50273977 (CHEMBL4126846) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)NC(C[C@@H]1CCNC1=O)C1CO1 |r| Show InChI InChI=1S/C35H42N4O6/c1-22(2)17-29(33(41)37-28(31-21-44-31)19-26-15-16-36-32(26)40)38-34(42)30(39-35(43)45-20-23-9-4-3-5-10-23)18-25-13-8-12-24-11-6-7-14-27(24)25/h3-14,22,26,28-31H,15-21H2,1-2H3,(H,36,40)(H,37,41)(H,38,42)(H,39,43)/t26-,28?,29-,30-,31?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...				Bioorg Med Chem Lett 28: 2165-2170 (2018) Article DOI: 10.1016/j.bmcl.2018.05.012 BindingDB Entry DOI: 10.7270/Q2TH8Q6N
					More data for this Ligand-Target Pair
Genome polyprotein (Norovirus Hu/GII.4-2002/WeertE022/2002/NL)	BDBM50273981 (CHEMBL4127374) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@H](CCl)C[C@@H]1CCCNC1=O |r| Show InChI InChI=1S/C35H43ClN4O5/c1-23(2)18-30(33(42)38-28(21-36)19-27-15-9-17-37-32(27)41)39-34(43)31(40-35(44)45-22-24-10-4-3-5-11-24)20-26-14-8-13-25-12-6-7-16-29(25)26/h3-8,10-14,16,23,27-28,30-31H,9,15,17-22H2,1-2H3,(H,37,41)(H,38,42)(H,39,43)(H,40,44)/t27-,28-,30-,31-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...				Bioorg Med Chem Lett 28: 2165-2170 (2018) Article DOI: 10.1016/j.bmcl.2018.05.012 BindingDB Entry DOI: 10.7270/Q2TH8Q6N
					More data for this Ligand-Target Pair