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BDBM345862 US10202367, Compound 8

SMILES: CCN(CC)CCCCNC(=O)C1CCN(CC2N=C(OC2C)c2cc(OC)cc(OC)c2)CC1

InChI Key: InChIKey=XYPFWOMMRACPBR-UHFFFAOYSA-N

Data: 1 EC50

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 = 345862   
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
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345862
PNG
(US10202367, Compound 8)
Show SMILES CCN(CC)CCCCNC(=O)C1CCN(CC2N=C(OC2C)c2cc(OC)cc(OC)c2)CC1 |c:18|
Show InChI InChI=1S/C27H44N4O4/c1-6-30(7-2)13-9-8-12-28-26(32)21-10-14-31(15-11-21)19-25-20(3)35-27(29-25)22-16-23(33-4)18-24(17-22)34-5/h16-18,20-21,25H,6-15,19H2,1-5H3,(H,28,32)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6.55E+3n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Kansas

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair