Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50013957   

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 (2019-nCoV)	BDBM50571193 (CHEMBL4877358) Show SMILES Oc1ccccc1\C=N\NC(=N)c1nonc1NCNc1nonc1C(=N)N\N=C\c1ccccc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SARS-CoV-2 papain-like protease				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128099 BindingDB Entry DOI: 10.7270/Q2RN3CN6
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50571192 (CHEMBL4869416) Show SMILES COc1cc(ccc1O)C(NC1=NC(=O)C(CC(=O)Nc2ccc(cc2)C(O)=O)S1)c1c(O)[nH]c(=O)[nH]c1=O |t:12| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SARS-CoV-2 papain-like protease				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128099 BindingDB Entry DOI: 10.7270/Q2RN3CN6
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50571193 (CHEMBL4877358) Show SMILES Oc1ccccc1\C=N\NC(=N)c1nonc1NCNc1nonc1C(=N)N\N=C\c1ccccc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SARS-CoV-2 main protease				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128099 BindingDB Entry DOI: 10.7270/Q2RN3CN6
					More data for this Ligand-Target Pair
Furin (Homo sapiens (Human))	BDBM50571192 (CHEMBL4869416) Show SMILES COc1cc(ccc1O)C(NC1=NC(=O)C(CC(=O)Nc2ccc(cc2)C(O)=O)S1)c1c(O)[nH]c(=O)[nH]c1=O |t:12| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human furin Protease				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128099 BindingDB Entry DOI: 10.7270/Q2RN3CN6
					More data for this Ligand-Target Pair
Furin (Homo sapiens (Human))	BDBM50571193 (CHEMBL4877358) Show SMILES Oc1ccccc1\C=N\NC(=N)c1nonc1NCNc1nonc1C(=N)N\N=C\c1ccccc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human furin Protease				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128099 BindingDB Entry DOI: 10.7270/Q2RN3CN6
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50571192 (CHEMBL4869416) Show SMILES COc1cc(ccc1O)C(NC1=NC(=O)C(CC(=O)Nc2ccc(cc2)C(O)=O)S1)c1c(O)[nH]c(=O)[nH]c1=O |t:12| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SARS-CoV-2 main protease				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128099 BindingDB Entry DOI: 10.7270/Q2RN3CN6
					More data for this Ligand-Target Pair