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Patent code US10118894

Compile Data Set for Download or QSAR
Found 7 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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM297496
PNG
(US10118894, Example 5)
Show SMILES Cc1c2CN(Cc3ccccc3)C(=O)c2c(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1C
Show InChI InChI=1S/C33H36FNO5/c1-18-22-13-10-14-39-29(22)25(34)15-23(18)26-19(2)24-17-35(16-21-11-8-7-9-12-21)31(36)27(24)20(3)28(26)30(32(37)38)40-33(4,5)6/h7-9,11-12,15,30H,10,13-14,16-17H2,1-6H3,(H,37,38)/t30-/m0/s1
PDB
MMDB

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UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10118894 (2018)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM297498
PNG
(US10118894, Example 7)
Show SMILES Cc1c2CN(Cc3ccccc3)C(=O)c2c(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCNc2c1C
Show InChI InChI=1S/C32H35FN2O5/c1-17-22-16-35(15-20-10-8-7-9-11-20)30(36)25(22)19(3)26(29(31(37)38)40-32(4,5)6)24(17)21-14-23(33)28-27(18(21)2)34-12-13-39-28/h7-11,14,29,34H,12-13,15-16H2,1-6H3,(H,37,38)/t29-/m0/s1
PDB
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UniProtKB/SwissProt

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US Patent
n/an/a 14n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10118894 (2018)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM297492
PNG
(US10118894, Example 1)
Show SMILES Cc1ccc(cc1)-c1c(C)c2CN(Cc3ccccc3)C(=O)c2c(C)c1C(OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H33NO4/c1-18-12-14-22(15-13-18)24-19(2)23-17-31(16-21-10-8-7-9-11-21)28(32)25(23)20(3)26(24)27(29(33)34)35-30(4,5)6/h7-15,27H,16-17H2,1-6H3,(H,33,34)
PDB
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UniProtKB/SwissProt

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US Patent
n/an/a 25n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10118894 (2018)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM297497
PNG
(US10118894, Example 6)
Show SMILES Cc1c2C(=O)N(Cc3ccccc3)Cc2c(C)c(C2=CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H39NO4/c1-19-23-18-32(17-21-11-9-8-10-12-21)28(33)25(23)20(2)26(27(29(34)35)36-30(3,4)5)24(19)22-13-15-31(6,7)16-14-22/h8-13,27H,14-18H2,1-7H3,(H,34,35)/t27-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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US Patent
n/an/a 36n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10118894 (2018)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM297493
PNG
(US10118894, Example 2)
Show SMILES Cc1ccc(cc1)-c1c(C)c2CN(Cc3ccccc3)C(=O)c2c(C)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H33NO4/c1-18-12-14-22(15-13-18)24-19(2)23-17-31(16-21-10-8-7-9-11-21)28(32)25(23)20(3)26(24)27(29(33)34)35-30(4,5)6/h7-15,27H,16-17H2,1-6H3,(H,33,34)/t27-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 42n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10118894 (2018)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM297495
PNG
(US10118894, Example 4)
Show SMILES Cc1c2C(=O)N(Cc3ccccc3)Cc2c(C)c(-c2ccc3OCCCc3c2)c1C(OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C32H35NO5/c1-19-24-18-33(17-21-10-7-6-8-11-21)30(34)27(24)20(2)28(29(31(35)36)38-32(3,4)5)26(19)23-13-14-25-22(16-23)12-9-15-37-25/h6-8,10-11,13-14,16,29H,9,12,15,17-18H2,1-5H3,(H,35,36)
PDB
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UniProtKB/SwissProt

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US Patent
n/an/a 52n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10118894 (2018)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM297494
PNG
(US10118894, Example 3)
Show SMILES Cc1c2C(=O)N(Cc3ccccc3)Cc2c(C)c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C29H30ClNO4/c1-17-22-16-31(15-19-9-7-6-8-10-19)27(32)24(22)18(2)25(26(28(33)34)35-29(3,4)5)23(17)20-11-13-21(30)14-12-20/h6-14,26H,15-16H2,1-5H3,(H,33,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
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UniChem
US Patent
n/an/a 86n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10118894 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%