Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50137715'   

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)	BDBM50137715 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C37H51N7O6/c1-7-12-27(32(45)36(49)40-23(6)24-13-9-8-10-14-24)41-35(48)31-26-16-11-15-25(26)20-44(31)37(50)30(22(4)5)43-34(47)29(21(2)3)42-33(46)28-19-38-17-18-39-28/h8-10,13-14,17-19,21-23,25-27,29-31H,7,11-12,15-16,20H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t23-,25-,26-,27?,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137715 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C37H51N7O6/c1-7-12-27(32(45)36(49)40-23(6)24-13-9-8-10-14-24)41-35(48)31-26-16-11-15-25(26)20-44(31)37(50)30(22(4)5)43-34(47)29(21(2)3)42-33(46)28-19-38-17-18-39-28/h8-10,13-14,17-19,21-23,25-27,29-31H,7,11-12,15-16,20H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t23-,25-,26-,27?,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity of the compound towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 257-61 (2003) BindingDB Entry DOI: 10.7270/Q20P0ZDG
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137715 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C37H51N7O6/c1-7-12-27(32(45)36(49)40-23(6)24-13-9-8-10-14-24)41-35(48)31-26-16-11-15-25(26)20-44(31)37(50)30(22(4)5)43-34(47)29(21(2)3)42-33(46)28-19-38-17-18-39-28/h8-10,13-14,17-19,21-23,25-27,29-31H,7,11-12,15-16,20H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t23-,25-,26-,27?,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HCV protease using replicon assay in rats				Bioorg Med Chem Lett 14: 257-61 (2003) BindingDB Entry DOI: 10.7270/Q20P0ZDG
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137715 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C37H51N7O6/c1-7-12-27(32(45)36(49)40-23(6)24-13-9-8-10-14-24)41-35(48)31-26-16-11-15-25(26)20-44(31)37(50)30(22(4)5)43-34(47)29(21(2)3)42-33(46)28-19-38-17-18-39-28/h8-10,13-14,17-19,21-23,25-27,29-31H,7,11-12,15-16,20H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t23-,25-,26-,27?,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137715 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C37H51N7O6/c1-7-12-27(32(45)36(49)40-23(6)24-13-9-8-10-14-24)41-35(48)31-26-16-11-15-25(26)20-44(31)37(50)30(22(4)5)43-34(47)29(21(2)3)42-33(46)28-19-38-17-18-39-28/h8-10,13-14,17-19,21-23,25-27,29-31H,7,11-12,15-16,20H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t23-,25-,26-,27?,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair