BindingDB PrimarySearch_ki

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null

SMILES: Ic1ccc(cc1)-c1ncc(OCCC2CCNCC2)nc1-c1ccc(I)cc1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50567458
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Genome polyprotein (Dengue virus 2)	BDBM50567458 (CHEMBL4869904) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+4	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
TBA					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50567458 (CHEMBL4869904) Show SMILES 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
TBA					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50567458 (CHEMBL4869904) Show SMILES 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	4.70E+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
TBA					More data for this Ligand-Target Pair