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Patent code US9096580

Compile Data Set for Download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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 (HCV genotype 1a, isolate H))
BDBM173077
PNG
(US9096580, Table 2, compound 3)
Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(cc(F)c1C)C(=O)NC1(CNC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F3N5O3/c1-16-21(12-18(13-22(16)33)28(40)39-31(14-36-15-31)30-37-10-3-11-38-30)20-8-9-23-24(26(20)34)25(29(41)35-2)27(42-23)17-4-6-19(32)7-5-17/h3-13,36H,14-15H2,1-2H3,(H,35,41)(H,39,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 330n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...


US Patent US9096580 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KJB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM173080
PNG
(US9096580, Table 2, compound 6)
Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(cc(F)c1C)C(=O)NC1(CN(C)C1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26F3N5O3/c1-17-22(13-19(14-23(17)34)29(41)39-32(15-40(3)16-32)31-37-11-4-12-38-31)21-9-10-24-25(27(21)35)26(30(42)36-2)28(43-24)18-5-7-20(33)8-6-18/h4-14H,15-16H2,1-3H3,(H,36,42)(H,39,41)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 680n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...


US Patent US9096580 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KJB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM173078
PNG
(US9096580, Table 2, compound 4)
Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(ccc1C)C(=O)NC1(CN(C)C1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H27F2N5O3/c1-18-5-6-20(29(40)38-32(16-39(3)17-32)31-36-13-4-14-37-31)15-23(18)22-11-12-24-25(27(22)34)26(30(41)35-2)28(42-24)19-7-9-21(33)10-8-19/h4-15H,16-17H2,1-3H3,(H,35,41)(H,38,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 780n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...


US Patent US9096580 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KJB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM173079
PNG
(US9096580, Table 2, compound 5)
Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(C(=O)NC2(CN(C)C2)c2ncccn2)c(OC)cc1C)-c1ccc(F)cc1
Show InChI InChI=1S/C33H29F2N5O4/c1-18-14-25(43-4)23(30(41)39-33(16-40(3)17-33)32-37-12-5-13-38-32)15-22(18)21-10-11-24-26(28(21)35)27(31(42)36-2)29(44-24)19-6-8-20(34)9-7-19/h5-15H,16-17H2,1-4H3,(H,36,42)(H,39,41)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.08E+3n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...


US Patent US9096580 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KJB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM173076
PNG
(US9096580, Table 2, compound 2)
Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(C(=O)NC2(CNC2)c2ncccn2)c(OC)cc1C)-c1ccc(F)cc1
Show InChI InChI=1S/C32H27F2N5O4/c1-17-13-24(42-3)22(29(40)39-32(15-36-16-32)31-37-11-4-12-38-31)14-21(17)20-9-10-23-25(27(20)34)26(30(41)35-2)28(43-23)18-5-7-19(33)8-6-18/h4-14,36H,15-16H2,1-3H3,(H,35,41)(H,39,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.92E+3n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...


US Patent US9096580 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KJB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%