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SMILES: CNC(=O)c1c(oc2cc(N(CCOCCCCc3ccc(cc3)C(=O)OC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1

InChI Key: InChIKey=QEIPFMPLNXMXOW-UHFFFAOYSA-N

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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 = 486224   
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 3a (isolate k3a) (HCV))		BDBM486224
PNG
(US10947210, Compound 13-7A)
Show SMILES CNC(=O)c1c(oc2cc(N(CCOCCCCc3ccc(cc3)C(=O)OC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H37FN2O7S/c1-36-33(38)31-28-20-27(23-11-12-23)29(21-30(28)44-32(31)24-13-15-26(35)16-14-24)37(45(3,40)41)17-19-43-18-5-4-6-22-7-9-25(10-8-22)34(39)42-2/h7-10,13-16,20-21,23H,4-6,11-12,17-19H2,1-3H3,(H,36,38)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



COCRYSTAL PHARMA, INC.

US Patent


Assay Description
The reaction mixtures consisted of 50 mM Hepes-KOH, pH 7.5, 5 mM MgCl2, 5 mM DTT, 2% glycerol, 0.01% Triton® X-100, 0.5 uM polyA:U16 substrate, purif...

US Patent US10947210 (2021)

More data for this
Ligand-Target Pair