Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50041062   

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
Genome polyprotein (Human rhinovirus B)	BDBM50404057 (CHEMBL118534) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C32H44N4O6/c1-7-14-25(28(37)31(40)33-22(6)24-17-12-9-13-18-24)34-29(38)26(19-23-15-10-8-11-16-23)35-30(39)27(20(2)3)36-32(41)42-21(4)5/h8-13,15-18,20-22,25-27H,7,14,19H2,1-6H3,(H,33,40)(H,34,38)(H,35,39)(H,36,41)/t22-,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50404055 (CHEMBL118137) Show SMILES CCCC(NC(=O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C32H44N4O6/c1-7-14-25(28(37)31(40)33-22(6)24-17-12-9-13-18-24)34-29(38)26(19-23-15-10-8-11-16-23)35-30(39)27(20(2)3)36-32(41)42-21(4)5/h8-13,15-18,20-22,25-27H,7,14,19H2,1-6H3,(H,33,40)(H,34,38)(H,35,39)(H,36,41)/t22-,25?,26?,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50404062 (CHEMBL325300) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C33H46N4O6/c1-8-15-25(28(38)31(41)34-22(4)24-18-13-10-14-19-24)35-29(39)26(20-23-16-11-9-12-17-23)36-30(40)27(21(2)3)37-32(42)43-33(5,6)7/h9-14,16-19,21-22,25-27H,8,15,20H2,1-7H3,(H,34,41)(H,35,39)(H,36,40)(H,37,42)/t22-,25+,26+,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50404063 (CHEMBL118874) Show SMILES CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C32H43N5O7/c1-19(2)27(37-32(43)44-20(3)4)30(41)36-25(18-22-12-8-6-9-13-22)29(40)35-24(16-17-26(33)38)28(39)31(42)34-21(5)23-14-10-7-11-15-23/h6-15,19-21,24-25,27H,16-18H2,1-5H3,(H2,33,38)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t21-,24-,25-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50404058 (CHEMBL120688) Show SMILES CCCC(NC(=O)C(Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C32H43FN4O6/c1-7-11-25(28(38)31(41)34-21(6)23-12-9-8-10-13-23)35-29(39)26(18-22-14-16-24(33)17-15-22)36-30(40)27(19(2)3)37-32(42)43-20(4)5/h8-10,12-17,19-21,25-27H,7,11,18H2,1-6H3,(H,34,41)(H,35,39)(H,36,40)(H,37,42)/t21-,25?,26?,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50133645 (((S)-2-Methyl-1-{(1S,3aR,6aS)-1-[1-((S)-1-phenyl-e...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C31H46N4O6/c1-7-12-24(27(36)29(38)32-20(6)21-13-9-8-10-14-21)33-28(37)26-23-16-11-15-22(23)17-35(26)30(39)25(18(2)3)34-31(40)41-19(4)5/h8-10,13-14,18-20,22-26H,7,11-12,15-17H2,1-6H3,(H,32,38)(H,33,37)(H,34,40)/t20-,22-,23-,24?,25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50404059 (CHEMBL120485) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C31H42N4O6/c1-6-13-24(27(36)30(39)32-19-23-16-11-8-12-17-23)33-28(37)25(18-22-14-9-7-10-15-22)34-29(38)26(20(2)3)35-31(40)41-21(4)5/h7-12,14-17,20-21,24-26H,6,13,18-19H2,1-5H3,(H,32,39)(H,33,37)(H,34,38)(H,35,40)/t24-,25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50133641 (((S)-2,2-Dimethyl-1-{(1S,3aR,6aS)-1-[1-((S)-1-phen...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C32H48N4O6/c1-8-13-24(26(37)29(39)33-20(4)21-14-10-9-11-15-21)34-28(38)25-23-17-12-16-22(23)18-36(25)30(40)27(32(5,6)7)35-31(41)42-19(2)3/h9-11,14-15,19-20,22-25,27H,8,12-13,16-18H2,1-7H3,(H,33,39)(H,34,38)(H,35,41)/t20-,22-,23-,24?,25-,27+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50404061 (CHEMBL264632) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C31H45FN4O6/c1-7-11-24(27(37)29(39)33-19(6)20-12-9-8-10-13-20)34-28(38)26-21-14-15-23(32)22(21)16-36(26)30(40)25(17(2)3)35-31(41)42-18(4)5/h8-10,12-13,17-19,21-26H,7,11,14-16H2,1-6H3,(H,33,39)(H,34,38)(H,35,41)/t19-,21-,22-,23-,24?,25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50404065 (CHEMBL118712) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C32H44N4O6/c1-7-14-25(28(37)31(40)33-22(6)24-17-12-9-13-18-24)34-29(38)26(19-23-15-10-8-11-16-23)35-30(39)27(20(2)3)36-32(41)42-21(4)5/h8-13,15-18,20-22,25-27H,7,14,19H2,1-6H3,(H,33,40)(H,34,38)(H,35,39)(H,36,41)/t22-,25+,26+,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50404067 (CHEMBL118965) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)C1CCCCC1 Show InChI InChI=1S/C32H50N4O6/c1-7-14-25(28(37)31(40)33-22(6)24-17-12-9-13-18-24)34-29(38)26(19-23-15-10-8-11-16-23)35-30(39)27(20(2)3)36-32(41)42-21(4)5/h8,10-11,15-16,20-22,24-27H,7,9,12-14,17-19H2,1-6H3,(H,33,40)(H,34,38)(H,35,39)(H,36,41)/t22-,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50404060 (CHEMBL120209) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C32H46N4O5/c1-8-15-25(28(37)33-22(4)24-18-13-10-14-19-24)34-29(38)26(20-23-16-11-9-12-17-23)35-30(39)27(21(2)3)36-31(40)41-32(5,6)7/h9-14,16-19,21-22,25-27H,8,15,20H2,1-7H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40)/t22-,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50404056 (CHEMBL333595) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C32H47FN4O6/c1-8-12-24(26(38)29(40)34-19(4)20-13-10-9-11-14-20)35-28(39)25-21-15-16-23(33)22(21)17-37(25)30(41)27(32(5,6)7)36-31(42)43-18(2)3/h9-11,13-14,18-19,21-25,27H,8,12,15-17H2,1-7H3,(H,34,40)(H,35,39)(H,36,42)/t19-,21-,22-,23-,24?,25-,27+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50404066 (CHEMBL119565) Show SMILES CCCC(NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C28H42N4O6/c1-7-12-21(24(33)26(35)29-19(6)20-13-9-8-10-14-20)30-25(34)22-15-11-16-32(22)27(36)23(17(2)3)31-28(37)38-18(4)5/h8-10,13-14,17-19,21-23H,7,11-12,15-16H2,1-6H3,(H,29,35)(H,30,34)(H,31,37)/t19-,21?,22?,23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50404064 (CHEMBL120651) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC[C@H](C)c1ccccc1 Show InChI InChI=1S/C33H48N4O5/c1-8-15-26(29(38)34-21-23(4)25-18-13-10-14-19-25)35-30(39)27(20-24-16-11-9-12-17-24)36-31(40)28(22(2)3)37-32(41)42-33(5,6)7/h9-14,16-19,22-23,26-28H,8,15,20-21H2,1-7H3,(H,34,38)(H,35,39)(H,36,40)(H,37,41)/t23-,26-,27-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.91E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50404057 (CHEMBL118534) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C32H44N4O6/c1-7-14-25(28(37)31(40)33-22(6)24-17-12-9-13-18-24)34-29(38)26(19-23-15-10-8-11-16-23)35-30(39)27(20(2)3)36-32(41)42-21(4)5/h8-13,15-18,20-22,25-27H,7,14,19H2,1-6H3,(H,33,40)(H,34,38)(H,35,39)(H,36,41)/t22-,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50404063 (CHEMBL118874) Show SMILES CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C32H43N5O7/c1-19(2)27(37-32(43)44-20(3)4)30(41)36-25(18-22-12-8-6-9-13-22)29(40)35-24(16-17-26(33)38)28(39)31(42)34-21(5)23-14-10-7-11-15-23/h6-15,19-21,24-25,27H,16-18H2,1-5H3,(H2,33,38)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t21-,24-,25-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair