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BDBM50109350 CHEMBL3600948

SMILES: Oc1ccc(\C=N\Nc2ccc(Cl)cc2)c(O)c1O

InChI Key: InChIKey=RTAUGTZBLILHLD-VIZOYTHASA-N

Data: 1 IC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50109350   
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
PA/PB1


(Hepatitis C virus)
BDBM50109350
PNG
(CHEMBL3600948)
Show SMILES Oc1ccc(\C=N\Nc2ccc(Cl)cc2)c(O)c1O
Show InChI InChI=1S/C13H11ClN2O3/c14-9-2-4-10(5-3-9)16-15-7-8-1-6-11(17)13(19)12(8)18/h1-7,16-19H/b15-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A/Perto Rico/8/34 (PR8) (H1N1) PA N-terminal domain (1 to 197) endonuclease activity expressed in Escherichia coli Rosetta (D...


Bioorg Med Chem 23: 5466-75 (2015)


BindingDB Entry DOI: 10.7270/Q2N87CK3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)