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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 3289   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Genome polyprotein


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30463
PNG
(benzothiazine-containing analog, 3g)
Show SMILES Cc1ccc(s1)-c1nn(Cc2ccccc2)c(=O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1O |t:21|
Show InChI InChI=1S/C25H22N4O6S3/c1-15-8-11-20(36-15)23-24(30)22(25(31)29(27-23)13-16-6-4-3-5-7-16)19-14-38(34,35)21-12-17(28-37(2,32)33)9-10-18(21)26-19/h3-12,28,30H,13-14H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30464
PNG
(benzothiazine-containing analog, 3h)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)C2)N(C)S(C)(=O)=O)c1=O |t:17|
Show InChI InChI=1S/C23H26N4O6S3/c1-14(2)9-10-27-23(29)20(22(28)21(25-27)18-6-5-11-34-18)17-13-36(32,33)19-12-15(7-8-16(19)24-17)26(3)35(4,30)31/h5-8,11-12,14,28H,9-10,13H2,1-4H3
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30465
PNG
(benzothiazine-containing analog, 3i)
Show SMILES CN(c1ccc2N=C(CS(=O)(=O)c2c1)c1c(O)c(nn(Cc2ccccc2)c1=O)-c1ccc(C)s1)S(C)(=O)=O |c:6|
Show InChI InChI=1S/C26H24N4O6S3/c1-16-9-12-21(37-16)24-25(31)23(26(32)30(28-24)14-17-7-5-4-6-8-17)20-15-39(35,36)22-13-18(10-11-19(22)27-20)29(2)38(3,33)34/h4-13,31H,14-15H2,1-3H3
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair