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SMILES: CNCCOc1cnc(-c2ccc(CN)cc2)c(n1)-c1ccc(cc1)-c1ccoc1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50567534   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Nonstructural protein 3


(Zika virus)		BDBM50567534
PNG
(CHEMBL4854475)
Show SMILES CNCCOc1cnc(-c2ccc(CN)cc2)c(n1)-c1ccc(cc1)-c1ccoc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/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