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SMILES: CNC(=O)c1c(oc2cc(N(CCOCCOCc3ccnc(Cl)c3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1

InChI Key: InChIKey=ITNLARHPDDWCPM-UHFFFAOYSA-N

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 = 486304   
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))		BDBM486304
PNG
(US10947210, Compound 19-8A)
Show SMILES CNC(=O)c1c(oc2cc(N(CCOCCOCc3ccnc(Cl)c3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H31ClFN3O6S/c1-33-30(36)28-24-16-23(20-3-4-20)25(17-26(24)41-29(28)21-5-7-22(32)8-6-21)35(42(2,37)38)11-12-39-13-14-40-18-19-9-10-34-27(31)15-19/h5-10,15-17,20H,3-4,11-14,18H2,1-2H3,(H,33,36)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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)


BindingDB Entry DOI: 10.7270/Q2CZ3B8J
More data for this
Ligand-Target Pair