Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 47919   

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
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM47919 (Furan-2-carboxylic acid (4-sec-butyl-phenyl)-(cycl...) Show SMILES CCC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1 Show InChI InChI=1S/C27H31N3O3/c1-3-19(2)20-12-14-23(15-13-20)30(27(32)24-11-7-17-33-24)25(21-8-6-16-28-18-21)26(31)29-22-9-4-5-10-22/h6-8,11-19,22,25H,3-5,9-10H2,1-2H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM47919 (Furan-2-carboxylic acid (4-sec-butyl-phenyl)-(cycl...) Show SMILES CCC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1 Show InChI InChI=1S/C27H31N3O3/c1-3-19(2)20-12-14-23(15-13-20)30(27(32)24-11-7-17-33-24)25(21-8-6-16-28-18-21)26(31)29-22-9-4-5-10-22/h6-8,11-19,22,25H,3-5,9-10H2,1-2H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This is a review article. Please point to the original journal.				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00409 BindingDB Entry DOI: 10.7270/Q2J1069F
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM47919 (Furan-2-carboxylic acid (4-sec-butyl-phenyl)-(cycl...) Show SMILES CCC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1 Show InChI InChI=1S/C27H31N3O3/c1-3-19(2)20-12-14-23(15-13-20)30(27(32)24-11-7-17-33-24)25(21-8-6-16-28-18-21)26(31)29-22-9-4-5-10-22/h6-8,11-19,22,25H,3-5,9-10H2,1-2H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
3C-like protease (Avian infectious bronchitis virus)	BDBM47919 (Furan-2-carboxylic acid (4-sec-butyl-phenyl)-(cycl...) Show SMILES CCC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1 Show InChI InChI=1S/C27H31N3O3/c1-3-19(2)20-12-14-23(15-13-20)30(27(32)24-11-7-17-33-24)25(21-8-6-16-28-18-21)26(31)29-22-9-4-5-10-22/h6-8,11-19,22,25H,3-5,9-10H2,1-2H3,(H,29,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29K48NM
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM47919 (Furan-2-carboxylic acid (4-sec-butyl-phenyl)-(cycl...) Show SMILES CCC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1 Show InChI InChI=1S/C27H31N3O3/c1-3-19(2)20-12-14-23(15-13-20)30(27(32)24-11-7-17-33-24)25(21-8-6-16-28-18-21)26(31)29-22-9-4-5-10-22/h6-8,11-19,22,25H,3-5,9-10H2,1-2H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM47919 (Furan-2-carboxylic acid (4-sec-butyl-phenyl)-(cycl...) Show SMILES CCC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1 Show InChI InChI=1S/C27H31N3O3/c1-3-19(2)20-12-14-23(15-13-20)30(27(32)24-11-7-17-33-24)25(21-8-6-16-28-18-21)26(31)29-22-9-4-5-10-22/h6-8,11-19,22,25H,3-5,9-10H2,1-2H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
					More data for this Ligand-Target Pair