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BDBM243457 US9427440, 11

SMILES: COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)N1CCN(CC1)CCN(C)S(=O)(=O)NC5=O

InChI Key: InChIKey=ABQSGMOFOLGBCW-UHFFFAOYNA-N

Data: 1 IC50  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 2 hits for monomerid = 243457   
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
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (strain HC-J4) (HCV))
BDBM243457
PNG
(US9427440, 11)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)N1CCN(CC1)CCN(C)S(=O)(=O)NC5=O
Show InChI InChI=1/C34H41N5O5S/c1-36-12-13-37-14-16-38(17-15-37)33(41)34-20-28(34)27-19-24(44-2)9-11-25(27)31-30(22-6-4-3-5-7-22)26-10-8-23(18-29(26)39(31)21-34)32(40)35-45(36,42)43/h8-11,18-19,22,28H,3-7,12-17,20-21H2,1-2H3,(H,35,40)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 220n/an/an/an/a7.525



Janssen Ireland

US Patent


Assay Description
Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Serine protease NS3/ RNA-directed RNA polymerase NS5B (NS3-NS5B)


(Hepatitis C virus genotype 1b (strain HC-J4) (HCV))
BDBM243457
PNG
(US9427440, 11)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)N1CCN(CC1)CCN(C)S(=O)(=O)NC5=O
Show InChI InChI=1/C34H41N5O5S/c1-36-12-13-37-14-16-38(17-15-37)33(41)34-20-28(34)27-19-24(44-2)9-11-25(27)31-30(22-6-4-3-5-7-22)26-10-8-23(18-29(26)39(31)21-34)32(40)35-45(36,42)43/h8-11,18-19,22,28H,3-7,12-17,20-21H2,1-2H3,(H,35,40)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 55n/an/an/an/a



Janssen Ireland

US Patent


Assay Description
The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair