Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50015027   

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
Spike glycoprotein (2019-nCoV)	BDBM50582092 (CHEMBL5091761) Show SMILES CC(C)(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM50582093 (CHEMBL5085757) Show SMILES CC(C)(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NCc1ccc(cc1)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM50582094 (CHEMBL5087131) Show SMILES CC(C)C[C@H](NCc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM50582099 (CHEMBL5077268) Show SMILES COC(=O)c1ccc2n(C)cc(CN(Cc3ccccc3)C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)c2c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM50582096 (CHEMBL5092252) Show SMILES C=CC[C@H](NCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM50582097 (CHEMBL5070941) Show SMILES ClCC(=O)N[C@@H](CC=C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM50582098 (CHEMBL5080077) Show SMILES COC(=O)c1ccc2n(CC(C)C)cc(CN(CCc3ccc(cc3)-c3ccccc3)Cc3ccccc3)c2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.26E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM50582095 (CHEMBL5093511) Show SMILES CC(C)(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC#C)NCc1ccc(cc1)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2
					More data for this Ligand-Target Pair