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Compile Data Set for Download or QSAR

Found 140 hits of ec50 for UniProtKB: P04585   
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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347150
PNG
(US10202404, Compound A-21)
Show SMILES C[C@@H]1CO[C@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N2C1 |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC sid
UniChem
Article
n/an/an/an/a 1n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27614
PNG
(3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-c]pyridazin...)
Show SMILES Fc1c(Cc2n[nH]c3nnccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C19H10BrClFN5O/c20-15-2-1-11(7-16-14-3-4-24-26-19(14)27-25-16)17(22)18(15)28-13-6-10(9-23)5-12(21)8-13/h1-6,8H,7H2,(H,25,26,27)
PDB
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PC sid
PDB
UniChem
MMDB
Article
PubMed
n/an/a 3n/a 1n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...


J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27616
PNG
(3-chloro-5-(6-chloro-2-fluoro-3-{1H-pyrazolo[3,4-c...)
Show SMILES Fc1c(Cc2n[nH]c3nnccc23)ccc(Cl)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C19H10Cl2FN5O/c20-12-5-10(9-23)6-13(8-12)28-18-15(21)2-1-11(17(18)22)7-16-14-3-4-24-26-19(14)27-25-16/h1-6,8H,7H2,(H,25,26,27)
PDB
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UniChem
Article
PubMed
n/an/an/an/a 1n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...


J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27617
PNG
(5-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-c]pyridazin...)
Show SMILES Fc1c(Cc2n[nH]c3nnccc23)ccc(Br)c1Oc1cc(cc(c1)C#N)C#N
Show InChI InChI=1S/C20H10BrFN6O/c21-16-2-1-13(8-17-15-3-4-25-27-20(15)28-26-17)18(22)19(16)29-14-6-11(9-23)5-12(7-14)10-24/h1-7H,8H2,(H,26,27,28)
PDB
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UniChem
Article
PubMed
n/an/an/an/a 1n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...


J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27612
PNG
(3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-b]pyridin-3...)
Show SMILES Fc1c(Cc2n[nH]c3ncccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C20H11BrClFN4O/c21-16-4-3-12(8-17-15-2-1-5-25-20(15)27-26-17)18(23)19(16)28-14-7-11(10-24)6-13(22)9-14/h1-7,9H,8H2,(H,25,26,27)
PDB
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Article
PubMed
n/an/a 8n/a 1n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...


J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347231
PNG
(US10202404, Compound C-3)
Show SMILES COCCN1CN(C)n2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
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Article
n/an/an/an/a 1.10n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347144
PNG
(US10202404, Compound A-15)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12 |r|
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UniChem
Article
n/an/an/an/a 1.10n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347143
PNG
(US10202404, Compound A-14)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(-c4ncc(Cc5c(F)cc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12 |r|
PDB
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UniChem
Article
n/an/an/an/a 1.20n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347248
PNG
(US10202404, Compound C-23)
Show SMILES CCN1N(C)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
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UniChem
Article
n/an/an/an/a 1.20n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347247
PNG
(US10202404, Compound C-22)
Show SMILES COCCN1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C(C)C
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UniChem
Article
n/an/an/an/a 1.30n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347164
PNG
(US10202404, Compound A-36)
Show SMILES C[C@H]1CCO[C@@H]2Cn3cc(-c4nnc(Cc5c(F)cc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12 |r|
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UniChem
Article
n/an/an/an/a 1.40n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347230
PNG
(US10202404, Compound C-2)
Show SMILES CCN1CN(CCOC)C(=O)c2c(O)c(=O)c(cn12)-c1nnc(Cc2ccc(F)cc2F)s1
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UniChem
Article
n/an/an/an/a 1.40n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347251
PNG
(US10202404, Compound C-26)
Show SMILES COCCN1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C
PDB
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UniChem
Article
n/an/an/an/a 1.5n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347246
PNG
(US10202404, Compound C-21)
Show SMILES CCN1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1CC
PDB
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UniChem
Article
n/an/an/an/a 1.5n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347181
PNG
(US10202404, Compound A-54)
Show SMILES Oc1c2C(=O)N3C[C@H]4CCCN4[C@@H]3Cn2cc(-c2nnc(Cc3cccc(Cl)c3F)s2)c1=O |r|
PDB
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UniChem
Article
n/an/an/an/a 1.60n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347176
PNG
(US10202404, Compound A-49 | US10202404, Compound A...)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4cn(Cc5ccc(F)cc5F)cn4)c(=O)c(O)c3C(=O)N12 |r|
PDB
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UniChem
Article
n/an/an/an/a 1.60n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347189
PNG
(US10202404, Compound A-62)
Show SMILES C[C@H]1[C@H]2CCCN2[C@@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12 |r|
PDB
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UniChem
Article
n/an/an/an/a 1.60n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347167
PNG
(US10202404, Compound A-39)
Show SMILES Oc1c2C(=O)N3[C@@H](Cn2cc(-c2nnc(Cc4ccc(F)cc4F)s2)c1=O)O[C@@H]1CCC[C@H]31 |r|
PDB
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UniChem
Article
n/an/an/an/a 1.60n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347151
PNG
(US10202404, Compound A-22)
Show SMILES C[C@@H]1CO[C@H]2Cn3cc(-c4nnc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N2C1 |r|
PDB
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UniChem
Article
n/an/an/an/a 1.70n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347245
PNG
(US10202404, Compound C-20)
Show SMILES COCCN1N(C)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
PDB
MMDB

UniProtKB/SwissProt

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UniChem
Article
n/an/an/an/a 1.70n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347182
PNG
(US10202404, Compound A-55)
Show SMILES Oc1c2C(=O)N3C[C@H]4CCCN4[C@@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O |r|
PDB
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UniChem
Article
n/an/an/an/a 1.70n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347241
PNG
(US10202404, Compound C-15)
Show SMILES Oc1c2C(=O)N3CCCCN3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
PDB
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UniChem
Article
n/an/an/an/a 1.70n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347184
PNG
(US10202404, Compound A-57)
Show SMILES C[C@H]1N2[C@H](Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C2=O)OCC11CC1 |r|
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Article
n/an/an/an/a 1.70n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347102
PNG
(US10202404, Compound A-6)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(-c4ncc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12 |r|
PDB
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Article
n/an/an/an/a 1.90n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347190
PNG
(US10202404, Compound A-63)
Show SMILES Oc1c2C(=O)N3[C@H](Cn2cc(-c2nnc(Cc4ccc(F)cc4F)s2)c1=O)O[C@H]1CCC[C@@H]31 |r|
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n/an/an/an/a 2n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347252
PNG
(US10202404, Compound C-27)
Show SMILES COCCN1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1CCOC
PDB
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Article
n/an/an/an/a 2n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27613
PNG
(3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-c]pyridin-3...)
Show SMILES Fc1c(Cc2n[nH]c3cnccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C20H11BrClFN4O/c21-16-2-1-12(7-17-15-3-4-25-10-18(15)27-26-17)19(23)20(16)28-14-6-11(9-24)5-13(22)8-14/h1-6,8,10H,7H2,(H,26,27)
PDB
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n/an/a 5n/a 2n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...


J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347235
PNG
(US10202404, Compound C-7)
Show SMILES CCN1CN(CCCOC)C(=O)c2c(O)c(=O)c(cn12)-c1nnc(Cc2ccc(F)cc2F)s1
PDB
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UniProtKB/SwissProt

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UniChem
Article
n/an/an/an/a 2n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347187
PNG
(US10202404, Compound A-60)
Show SMILES C[C@H]1CN(C2CC2)[C@@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12 |r|
PDB
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UniChem
Article
n/an/an/an/a 2n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347216
PNG
(US10202404, Compound B-9)
Show SMILES Oc1c2C(=O)N3C[C@H]4C[C@H]4[C@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O |r|
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n/an/an/an/a 2n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347158
PNG
(US10202404, Compound A-29)
Show SMILES C[C@H]1CCO[C@@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12 |r|
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n/an/an/an/a 2.10n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347145
PNG
(US10202404, Compound A-16)
Show SMILES C[C@@H]1CCN2[C@H](Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C2=O)O1 |r|
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n/an/an/an/a 2.10n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347232
PNG
(US10202404, Compound C-4)
Show SMILES CCN1CN(CCOC)C(=O)c2c(O)c(=O)c(cn12)-c1nnc(Cc2cccc(Cl)c2F)s1
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n/an/an/an/a 2.10n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347250
PNG
(US10202404, Compound C-25)
Show SMILES CCN1NCn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
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n/an/an/an/a 2.20n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347240
PNG
(US10202404, Compound C-14)
Show SMILES Oc1c2C(=O)N3CCCCN3Cn2cc(-c2nnc(Cc3cccc(Cl)c3F)s2)c1=O
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n/an/an/an/a 2.20n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347146
PNG
(US10202404, Compound A-17)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12 |r|
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n/an/an/an/a 2.30n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347165
PNG
(US10202404, Compound A-37)
Show SMILES C[C@H]1CCO[C@@H]2Cn3cc(-c4nnc(Cc5ccc(F)c(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12 |r|
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n/an/an/an/a 2.30n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347243
PNG
(US10202404, Compound C-18)
Show SMILES CN1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C
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n/an/an/an/a 2.30n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347147
PNG
(US10202404, Compound A-18)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(-c4nnc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12 |r|
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n/an/an/an/a 2.30n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347159
PNG
(US10202404, Compound A-31)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5ccc(F)c(F)c5F)s4)c(=O)c(O)c3C(=O)N12 |r|
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n/an/an/an/a 2.30n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347249
PNG
(US10202404, Compound C-24)
Show SMILES Oc1c2C(=O)N3CC4(CC4)CN3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
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n/an/an/an/a 2.40n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347236
PNG
(US10202404, Compound C-8)
Show SMILES CCN1CN(CCCOC)C(=O)c2c(O)c(=O)c(cn12)-c1nnc(Cc2cccc(Cl)c2F)s1
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n/an/an/an/a 2.40n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347097
PNG
(US10202404, Compound A-2)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(-c4ncc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12 |r|
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n/an/an/an/a 2.5n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347161
PNG
(US10202404, Compound A-33)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5ccc(F)c(Cl)c5)s4)c(=O)c(O)c3C(=O)N12 |r|
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n/an/an/an/a 2.5n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347152
PNG
(US10202404, Compound A-23)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5c(F)cc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12 |r|
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n/an/an/an/a 2.60n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347166
PNG
(US10202404, Compound A-38)
Show SMILES C[C@@H]1C[C@@H](C)N2[C@H](Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C2=O)O1 |r|
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n/an/an/an/a 2.70n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347239
PNG
(US10202404, Compound C-13)
Show SMILES COCCN1CN(C)n2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
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n/an/an/an/a 2.70n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347163
PNG
(US10202404, Compound A-35)
Show SMILES C[C@@H]1C[C@@H](C)N2[C@H](Cn3cc(-c4nnc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C2=O)O1 |r|
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n/an/an/an/a 2.80n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347214
PNG
(US10202404, Compound B-7)
Show SMILES Oc1c2C(=O)N3CCCC[C@@H]3Cn2cc(-c2nnc(Cc3c(F)cc(F)cc3F)s2)c1=O |r|
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n/an/an/an/a 2.90n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347208
PNG
(US10202404, Compound B-1)
Show SMILES Oc1c2C(=O)N3CCCC[C@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O |r|
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n/an/an/an/a 2.90n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
More data for this
Ligand-Target Pair
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