Compile Data Set for Download or QSAR

Found 140 hits Enz. Inhib. hit(s) with all data for entry = 50013562   

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 (West Nile virus)	BDBM50567466 (CHEMBL4862682) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1cn[nH]c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567473 (CHEMBL4872757) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567516 (CHEMBL4865964) Show SMILES NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1C(=O)Nc1ccc(Cl)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50567466 (CHEMBL4862682) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1cn[nH]c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Dengue serotype-2 NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nonstructural protein 3 (Zika virus)	BDBM50567535 (CHEMBL4861948) Show SMILES CC(Oc1cnc(-c2ccc(CN)cc2)c(n1)-c1ccc(cc1)-c1ccoc1)C1CCNCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50567470 (CHEMBL4862353) Show SMILES NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Dengue serotype-2 NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nonstructural protein 3 (Zika virus)	BDBM50567493 (CHEMBL4872312) Show SMILES NCc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccncc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567484 (CHEMBL4861102) Show SMILES CN(C)Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CN(C)C)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567470 (CHEMBL4862353) Show SMILES NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567477 (CHEMBL4852716) Show SMILES OCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CO)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50567470 (CHEMBL4862353) Show SMILES NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567474 (CHEMBL4867031) Show SMILES Ic1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(I)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50567467 (CHEMBL4850391) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Dengue serotype-2 NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nonstructural protein 3 (Zika virus)	BDBM50567550 (CHEMBL4849574) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C1CCOC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567480 (CHEMBL4862454) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CN)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50567468 (CHEMBL4853830) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc2[nH]ccc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Dengue serotype-2 NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567557 (CHEMBL4861562) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)N1CCNCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567519 (CHEMBL4863645) Show SMILES NCc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567468 (CHEMBL4853830) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc2[nH]ccc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50567469 (CHEMBL4856850) Show SMILES CNCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Dengue serotype-2 NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567466 (CHEMBL4862682) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1cn[nH]c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50567467 (CHEMBL4850391) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567471 (CHEMBL4876865) Show SMILES NCc1ccc(cc1)-c1ccc(NCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50567473 (CHEMBL4872757) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C1CCOCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50567471 (CHEMBL4876865) Show SMILES NCc1ccc(cc1)-c1ccc(NCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Dengue serotype-2 NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50567469 (CHEMBL4856850) Show SMILES CNCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50567468 (CHEMBL4853830) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc2[nH]ccc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50567472 (CHEMBL4848934) Show SMILES NC(=O)c1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Dengue serotype-2 NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567558 (CHEMBL4865689) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(nc1)C1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567476 (CHEMBL4858157) Show SMILES C(Oc1cnc(-c2ccc(cc2)-c2ccoc2)c(n1)-c1ccc(cc1)-c1ccoc1)C1CCNCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567527 (CHEMBL4867226) Show SMILES NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1C(=O)Nc1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567509 (CHEMBL4850270) Show SMILES CC(=O)c1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567472 (CHEMBL4848934) Show SMILES NC(=O)c1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567537 (CHEMBL4847637) Show SMILES ONCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50567471 (CHEMBL4876865) Show SMILES NCc1ccc(cc1)-c1ccc(NCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567524 (CHEMBL4861548) Show SMILES NCc1ccc(cc1)-c1ncc(OCCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567533 (CHEMBL4865804) Show SMILES NCCCOc1cnc(-c2ccc(CN)cc2)c(n1)-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50567472 (CHEMBL4848934) Show SMILES NC(=O)c1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567459 (CHEMBL4857480) Show SMILES C(Oc1cnc(-c2ccc(cc2)-c2ccsc2)c(n1)-c1ccc(cc1)-c1ccsc1)C1CCNCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567513 (CHEMBL4865364) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1cccc2[nH]cnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567463 (CHEMBL4867805) Show SMILES ONCc1ccc(cc1)-c1ncc(OCCC2CCNCC2)nc1-c1ccc(CNO)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567532 (CHEMBL4868828) Show SMILES NCc1ccc(cc1)-c1ncc(OC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567494 (CHEMBL4851861) Show SMILES NCc1ccc(cc1)-c1nc(OCCC2CCNCC2)cnc1-c1ccncc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567521 (CHEMBL4849627) Show SMILES CN(C)Cc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567546 (CHEMBL4874742) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(-c2ccoc2)c(c1)C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567523 (CHEMBL4878840) Show SMILES NCc1ccc(cc1)-c1nc(OCCN2CCNCC2)cnc1-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50567458 (CHEMBL4869904) Show SMILES Ic1ccc(cc1)-c1ncc(OCCC2CCNCC2)nc1-c1ccc(I)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567542 (CHEMBL4855625) Show SMILES COc1cc(ccc1-c1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567515 (CHEMBL4870653) Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1cccc2[nH]ccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567534 (CHEMBL4854475) Show SMILES CNCCOc1cnc(-c2ccc(CN)cc2)c(n1)-c1ccc(cc1)-c1ccoc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02070 BindingDB Entry DOI: 10.7270/Q20G3PWH
					More data for this Ligand-Target Pair

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