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4 similar compounds to monomer 103258

Compile data set for download or QSAR
Wt: 551.6
BDBM103254
Wt: 521.6
BDBM103255
Wt: 522.5
BDBM103256
Wt: 619.7
BDBM103257

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 103254,103255,103256,103257   
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
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103254
PNG
(US8546389, 21)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H30FN5O4S/c1-30-28(36)27-24-16-23(18-4-5-18)26(33(14-3-15-35)39(2,37)38)17-25(24)32-34(27)22-12-10-21(11-13-22)31-20-8-6-19(29)7-9-20/h6-13,16-18,31,35H,3-5,14-15H2,1-2H3,(H,30,36)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 40n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103255
PNG
(US8546389, 22)
Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H28FN5O3S/c1-4-32(37(3,35)36)25-16-24-23(15-22(25)17-5-6-17)26(27(34)29-2)33(31-24)21-13-11-20(12-14-21)30-19-9-7-18(28)8-10-19/h7-17,30H,4-6H2,1-3H3,(H,29,34)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 110n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103256
PNG
(US8546389, 28)
Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Oc2ccccc2F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H27FN4O4S/c1-4-31(37(3,34)35)24-16-23-21(15-20(24)17-9-10-17)26(27(33)29-2)32(30-23)18-11-13-19(14-12-18)36-25-8-6-5-7-22(25)28/h5-8,11-17H,4,9-10H2,1-3H3,(H,29,33)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 120n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103257
PNG
(US8546389, 111)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCN3CCCCC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H38FN5O4S/c1-35-33(40)32-29-21-28(23-7-8-23)31(38(44(2,41)42)20-6-19-37-17-4-3-5-18-37)22-30(29)36-39(32)25-11-15-27(16-12-25)43-26-13-9-24(34)10-14-26/h9-16,21-23H,3-8,17-20H2,1-2H3,(H,35,40)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 260n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103254
PNG
(US8546389, 21)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H30FN5O4S/c1-30-28(36)27-24-16-23(18-4-5-18)26(33(14-3-15-35)39(2,37)38)17-25(24)32-34(27)22-12-10-21(11-13-22)31-20-8-6-19(29)7-9-20/h6-13,16-18,31,35H,3-5,14-15H2,1-2H3,(H,30,36)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 40n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103255
PNG
(US8546389, 22)
Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H28FN5O3S/c1-4-32(37(3,35)36)25-16-24-23(15-22(25)17-5-6-17)26(27(34)29-2)33(31-24)21-13-11-20(12-14-21)30-19-9-7-18(28)8-10-19/h7-17,30H,4-6H2,1-3H3,(H,29,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 20n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103256
PNG
(US8546389, 28)
Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Oc2ccccc2F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H27FN4O4S/c1-4-31(37(3,34)35)24-16-23-21(15-20(24)17-9-10-17)26(27(33)29-2)32(30-23)18-11-13-19(14-12-18)36-25-8-6-5-7-22(25)28/h5-8,11-17H,4,9-10H2,1-3H3,(H,29,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 20n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103257
PNG
(US8546389, 111)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCN3CCCCC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H38FN5O4S/c1-35-33(40)32-29-21-28(23-7-8-23)31(38(44(2,41)42)20-6-19-37-17-4-3-5-18-37)22-30(29)36-39(32)25-11-15-27(16-12-25)43-26-13-9-24(34)10-14-26/h9-16,21-23H,3-8,17-20H2,1-2H3,(H,35,40)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.17E+3n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair