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Compile Data Set for Download or QSAR

Found 1117 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein'   
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
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM97447
PNG
(Aspartyl protease inhibitor, 13)
Show SMILES CC(C)CN(C[C@@H]1C[NH2+]CC1CN(Cc1ccccc1)C(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C33H43N3O4S/c1-25(2)20-36(41(38,39)31-16-9-6-10-17-31)23-30-19-34-18-29(30)22-35(21-28-14-7-5-8-15-28)32(37)24-40-33-26(3)12-11-13-27(33)4/h5-17,25,29-30,34H,18-24H2,1-4H3/p+1/t29?,30-/m0/s1
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PubMed
n/an/a 2.20E+3n/an/an/an/a5.5n/a



Philipps-Universitšt Marburg



Assay Description
Binding constants for inhibition of HIV protease were determined as previously described.


ChemMedChem 1: 106-17 (2006)


Article DOI: 10.1002/cmdc.200500008
BindingDB Entry DOI: 10.7270/Q228067M
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM97448
PNG
(Aspartyl protease inhibitor, 14)
Show SMILES CC(C)CN(C[C@@H]1C[NH2+]CC1CN(Cc1ccccc1)C(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C33H44N4O4S/c1-24(2)19-37(42(39,40)31-15-13-30(34)14-16-31)22-29-18-35-17-28(29)21-36(20-27-11-6-5-7-12-27)32(38)23-41-33-25(3)9-8-10-26(33)4/h5-16,24,28-29,35H,17-23,34H2,1-4H3/p+1/t28?,29-/m0/s1
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n/an/a 3.30E+3n/an/an/an/a5.5n/a



Philipps-Universitšt Marburg



Assay Description
Binding constants for inhibition of HIV protease were determined as previously described.


ChemMedChem 1: 106-17 (2006)


Article DOI: 10.1002/cmdc.200500008
BindingDB Entry DOI: 10.7270/Q228067M
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM97451
PNG
(Aspartyl protease inhibitor, 17)
Show SMILES COc1cc(Br)c(OC(=O)N(CC2C[NH2+]C[C@H]2CN(CCc2ccc(Cl)cc2Cl)C(=O)CCN2C(=O)c3ccccc3C2=O)Cc2ccccc2)cc1OC
Show InChI InChI=1S/C41H41BrCl2N4O7/c1-53-36-19-33(42)35(20-37(36)54-2)55-41(52)47(23-26-8-4-3-5-9-26)25-29-22-45-21-28(29)24-46(16-14-27-12-13-30(43)18-34(27)44)38(49)15-17-48-39(50)31-10-6-7-11-32(31)40(48)51/h3-13,18-20,28-29,45H,14-17,21-25H2,1-2H3/p+1/t28-,29?/m0/s1
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n/an/a 2.21E+4n/an/an/an/a5.5n/a



Philipps-Universitšt Marburg



Assay Description
Binding constants for inhibition of HIV protease were determined as previously described.


ChemMedChem 1: 106-17 (2006)


Article DOI: 10.1002/cmdc.200500008
BindingDB Entry DOI: 10.7270/Q228067M
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM97450
PNG
(Aspartyl protease inhibitor, 16)
Show SMILES COc1cc(Br)c(OC(=O)N(CC2C[NH2+]C[C@H]2CN(CCc2ccc(Cl)cc2Cl)C(=O)CCCc2ccccc2)Cc2ccccc2)cc1OC
Show InChI InChI=1S/C40H44BrCl2N3O5/c1-49-37-21-34(41)36(22-38(37)50-2)51-40(48)46(25-29-12-7-4-8-13-29)27-32-24-44-23-31(32)26-45(19-18-30-16-17-33(42)20-35(30)43)39(47)15-9-14-28-10-5-3-6-11-28/h3-8,10-13,16-17,20-22,31-32,44H,9,14-15,18-19,23-27H2,1-2H3/p+1/t31-,32?/m0/s1
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n/an/a 1.98E+4n/an/an/an/a5.5n/a



Philipps-Universitšt Marburg



Assay Description
Binding constants for inhibition of HIV protease were determined as previously described.


ChemMedChem 1: 106-17 (2006)


Article DOI: 10.1002/cmdc.200500008
BindingDB Entry DOI: 10.7270/Q228067M
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM97449
PNG
(Aspartyl protease inhibitor, 15)
Show SMILES CC(C)CN(C[C@@H]1C[NH2+]CC1CN(Cc1ccccc1)C(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C34H45N3O4S/c1-25(2)20-37(42(39,40)32-16-14-26(3)15-17-32)23-31-19-35-18-30(31)22-36(21-29-12-7-6-8-13-29)33(38)24-41-34-27(4)10-9-11-28(34)5/h6-17,25,30-31,35H,18-24H2,1-5H3/p+1/t30?,31-/m0/s1
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n/an/a 1.21E+4n/an/an/an/a5.5n/a



Philipps-Universitšt Marburg



Assay Description
Binding constants for inhibition of HIV protease were determined as previously described.


ChemMedChem 1: 106-17 (2006)


Article DOI: 10.1002/cmdc.200500008
BindingDB Entry DOI: 10.7270/Q228067M
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126648
PNG
(US8785638, 132)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1C(C)(C)C
Show InChI InChI=1S/C21H29NO2S/c1-6-9-14(20(23)24)16-12(2)22-19-17(18(16)21(3,4)5)13-10-7-8-11-15(13)25-19/h14H,6-11H2,1-5H3,(H,23,24)
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n/an/a 4.47E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126649
PNG
(US8785638, 133)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3COCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C23H25NO3S/c1-4-5-17(23(25)26)19-14(3)24-22-21(16-10-11-27-12-18(16)28-22)20(19)15-8-6-13(2)7-9-15/h6-9,17H,4-5,10-12H2,1-3H3,(H,25,26)
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n/an/a 7.80E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126650
PNG
(US8785638, 134)
Show SMILES Cc1ccc(cc1)-c1c(C(Cc2ccccc2)C(O)=O)c(C)nc2sc3CCCc3c12
Show InChI InChI=1S/C27H25NO2S/c1-16-11-13-19(14-12-16)24-23(21(27(29)30)15-18-7-4-3-5-8-18)17(2)28-26-25(24)20-9-6-10-22(20)31-26/h3-5,7-8,11-14,21H,6,9-10,15H2,1-2H3,(H,29,30)
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n/an/a 8.41E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126651
PNG
(US8785638, 135)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C25H29NO2S/c1-4-8-19(25(27)28)21-16(3)26-24-23(18-9-6-5-7-10-20(18)29-24)22(21)17-13-11-15(2)12-14-17/h11-14,19H,4-10H2,1-3H3,(H,27,28)
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n/an/a 5.58E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126652
PNG
(US8785638, 136)
Show SMILES CC(C)CC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C25H29NO2S/c1-14(2)13-19(25(27)28)21-16(4)26-24-23(18-7-5-6-8-20(18)29-24)22(21)17-11-9-15(3)10-12-17/h9-12,14,19H,5-8,13H2,1-4H3,(H,27,28)
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n/an/a 4.34E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126653
PNG
(US8785638, 137)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccccc1Cl
Show InChI InChI=1S/C23H24ClNO2S/c1-3-8-16(23(26)27)19-13(2)25-22-21(15-10-5-7-12-18(15)28-22)20(19)14-9-4-6-11-17(14)24/h4,6,9,11,16H,3,5,7-8,10,12H2,1-2H3,(H,26,27)
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n/an/a 5.19E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126654
PNG
(US8785638, 138)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1cccc(Cl)c1
Show InChI InChI=1S/C23H24ClNO2S/c1-3-7-17(23(26)27)19-13(2)25-22-21(16-10-4-5-11-18(16)28-22)20(19)14-8-6-9-15(24)12-14/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3,(H,26,27)
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n/an/a 3.99E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126655
PNG
(US8785638, 139)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO2S/c1-3-6-15(23(27)28)19-12(2)26-22-21(14-7-4-5-8-18(14)29-22)20(19)13-9-10-16(24)17(25)11-13/h9-11,15H,3-8H2,1-2H3,(H,27,28)
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n/an/a 9.24E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126656
PNG
(US8785638, 140)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H24F3NO2S/c1-3-7-17(23(29)30)19-13(2)28-22-21(16-10-4-5-11-18(16)31-22)20(19)14-8-6-9-15(12-14)24(25,26)27/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3,(H,29,30)
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n/an/a 1.81E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126657
PNG
(US8785638, 141)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1cccc(C)c1
Show InChI InChI=1S/C24H27NO2S/c1-4-8-18(24(26)27)20-15(3)25-23-22(17-11-5-6-12-19(17)28-23)21(20)16-10-7-9-14(2)13-16/h7,9-10,13,18H,4-6,8,11-12H2,1-3H3,(H,26,27)
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n/an/a 2.37E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126631
PNG
(US8785638, 113 | US8785638, 142)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C24H27NO2S/c1-4-7-18(24(26)27)20-15(3)25-23-22(17-8-5-6-9-19(17)28-23)21(20)16-12-10-14(2)11-13-16/h10-13,18H,4-9H2,1-3H3,(H,26,27)
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n/an/a 7.43E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126659
PNG
(US8785638, 143)
Show SMILES CCCC(C(O)=O)c1c(C)nc2scc(-c3ccccc3)c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C26H25NO2S/c1-4-8-20(26(28)29)22-17(3)27-25-24(23(22)19-13-11-16(2)12-14-19)21(15-30-25)18-9-6-5-7-10-18/h5-7,9-15,20H,4,8H2,1-3H3,(H,28,29)
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n/an/a 4.92E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126660
PNG
(US8785638, 144)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1cccc(OC)c1
Show InChI InChI=1S/C24H27NO3S/c1-4-8-18(24(26)27)20-14(2)25-23-22(17-11-5-6-12-19(17)29-23)21(20)15-9-7-10-16(13-15)28-3/h7,9-10,13,18H,4-6,8,11-12H2,1-3H3,(H,26,27)
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n/an/a 6.64E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126661
PNG
(US8785638, 145)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C25H29NO4S/c1-5-8-17(25(27)28)21-14(2)26-24-23(16-9-6-7-10-20(16)31-24)22(21)15-11-12-18(29-3)19(13-15)30-4/h11-13,17H,5-10H2,1-4H3,(H,27,28)
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n/an/a 2.96E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126662
PNG
(US8785638, 146)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H25NO4S/c1-3-6-16(24(26)27)20-13(2)25-23-22(15-7-4-5-8-19(15)30-23)21(20)14-9-10-17-18(11-14)29-12-28-17/h9-11,16H,3-8,12H2,1-2H3,(H,26,27)
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n/an/a 4.76E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126663
PNG
(US8785638, 147)
Show SMILES Cc1ccc(cc1)-c1c(C(CCCC(F)(F)F)C(O)=O)c(C)nc2sc3CCCCc3c12
Show InChI InChI=1S/C25H26F3NO2S/c1-14-9-11-16(12-10-14)21-20(18(24(30)31)7-5-13-25(26,27)28)15(2)29-23-22(21)17-6-3-4-8-19(17)32-23/h9-12,18H,3-8,13H2,1-2H3,(H,30,31)
PDB
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n/an/a 2.37E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126664
PNG
(US8785638, 148)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClNO2S/c1-3-6-17(23(26)27)19-13(2)25-22-21(16-7-4-5-8-18(16)28-22)20(19)14-9-11-15(24)12-10-14/h9-12,17H,3-8H2,1-2H3,(H,26,27)
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n/an/a 2.19E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126665
PNG
(US8785638, 149)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(CC)cc1
Show InChI InChI=1S/C25H29NO2S/c1-4-8-19(25(27)28)21-15(3)26-24-23(18-9-6-7-10-20(18)29-24)22(21)17-13-11-16(5-2)12-14-17/h11-14,19H,4-10H2,1-3H3,(H,27,28)
PDB
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n/an/a 7.44E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126666
PNG
(US8785638, 150)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1cccnc1
Show InChI InChI=1S/C22H24N2O2S/c1-3-7-16(22(25)26)18-13(2)24-21-20(15-9-4-5-10-17(15)27-21)19(18)14-8-6-11-23-12-14/h6,8,11-12,16H,3-5,7,9-10H2,1-2H3,(H,25,26)
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n/an/a 1.37E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126667
PNG
(US8785638, 151)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H24F3NO3S/c1-3-6-17(23(29)30)19-13(2)28-22-21(16-7-4-5-8-18(16)32-22)20(19)14-9-11-15(12-10-14)31-24(25,26)27/h9-12,17H,3-8H2,1-2H3,(H,29,30)
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n/an/a 2.15E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126668
PNG
(US8785638, 153)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccccc1F
Show InChI InChI=1S/C23H24FNO2S/c1-3-8-16(23(26)27)19-13(2)25-22-21(15-10-5-7-12-18(15)28-22)20(19)14-9-4-6-11-17(14)24/h4,6,9,11,16H,3,5,7-8,10,12H2,1-2H3,(H,26,27)
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n/an/a 4.37E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126669
PNG
(US8785638, 154)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1cc2ccccc2o1
Show InChI InChI=1S/C25H25NO3S/c1-3-8-17(25(27)28)21-14(2)26-24-22(16-10-5-7-12-20(16)30-24)23(21)19-13-15-9-4-6-11-18(15)29-19/h4,6,9,11,13,17H,3,5,7-8,10,12H2,1-2H3,(H,27,28)
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n/an/a 8.12E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126670
PNG
(US8785638, 155)
Show SMILES Cc1ccc(cc1)-c1c(C(CCc2ccccc2)C(O)=O)c(C)nc2sc3CCCCc3c12
Show InChI InChI=1S/C29H29NO2S/c1-18-12-15-21(16-13-18)26-25(23(29(31)32)17-14-20-8-4-3-5-9-20)19(2)30-28-27(26)22-10-6-7-11-24(22)33-28/h3-5,8-9,12-13,15-16,23H,6-7,10-11,14,17H2,1-2H3,(H,31,32)
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n/an/a 8.19E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126671
PNG
(US8785638, 156)
Show SMILES CC(C)C(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C24H27NO2S/c1-13(2)19(24(26)27)20-15(4)25-23-22(17-7-5-6-8-18(17)28-23)21(20)16-11-9-14(3)10-12-16/h9-13,19H,5-8H2,1-4H3,(H,26,27)
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n/an/a 5.96E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126672
PNG
(US8785638, 157)
Show SMILES CCC(C)C(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C25H29NO2S/c1-5-15(3)20(25(27)28)21-16(4)26-24-23(18-8-6-7-9-19(18)29-24)22(21)17-12-10-14(2)11-13-17/h10-13,15,20H,5-9H2,1-4H3,(H,27,28)
PDB
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n/an/a 2.64E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126673
PNG
(US8785638, 158)
Show SMILES Cc1ccc(cc1)-c1c(C(CCC(F)(F)F)C(O)=O)c(C)nc2sc3CCCCc3c12
Show InChI InChI=1S/C24H24F3NO2S/c1-13-7-9-15(10-8-13)20-19(17(23(29)30)11-12-24(25,26)27)14(2)28-22-21(20)16-5-3-4-6-18(16)31-22/h7-10,17H,3-6,11-12H2,1-2H3,(H,29,30)
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n/an/a 1.35E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126674
PNG
(US8785638, 159)
Show SMILES Cc1ccc(cc1)-c1c(C(CC#C)C(O)=O)c(C)nc2sc3CCCCc3c12
Show InChI InChI=1S/C24H23NO2S/c1-4-7-18(24(26)27)20-15(3)25-23-22(17-8-5-6-9-19(17)28-23)21(20)16-12-10-14(2)11-13-16/h1,10-13,18H,5-9H2,2-3H3,(H,26,27)
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n/an/a 1.33E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126675
PNG
(US8785638, 160)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1OC
Show InChI InChI=1S/C25H29NO3S/c1-5-8-18(25(27)28)21-15(3)26-24-23(17-9-6-7-10-20(17)30-24)22(21)16-12-11-14(2)13-19(16)29-4/h11-13,18H,5-10H2,1-4H3,(H,27,28)
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n/an/a 1.77E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126676
PNG
(US8785638, 161)
Show SMILES CCCC(C([O-])=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1O
Show InChI InChI=1S/C24H27NO3S.H3N/c1-4-7-17(24(27)28)20-14(3)25-23-22(16-8-5-6-9-19(16)29-23)21(20)15-11-10-13(2)12-18(15)26;/h10-12,17,26H,4-9H2,1-3H3,(H,27,28);1H3
PDB
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n/an/a 55.4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126677
PNG
(US8785638, 162)
Show SMILES Cc1ccc(cc1)-c1c(C(CC(C)(C)C)C(O)=O)c(C)nc2sc3CCCCc3c12
Show InChI InChI=1S/C26H31NO2S/c1-15-10-12-17(13-11-15)22-21(19(25(28)29)14-26(3,4)5)16(2)27-24-23(22)18-8-6-7-9-20(18)30-24/h10-13,19H,6-9,14H2,1-5H3,(H,28,29)
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n/an/a 1.57E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126678
PNG
(US8785638, 163)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CN(Cc4ccccc4)CCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C30H32N2O2S/c1-4-8-24(30(33)34)26-20(3)31-29-28(27(26)22-13-11-19(2)12-14-22)23-15-16-32(18-25(23)35-29)17-21-9-6-5-7-10-21/h5-7,9-14,24H,4,8,15-18H2,1-3H3,(H,33,34)
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n/an/a 4.50E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126679
PNG
(US8785638, 165)
Show SMILES Cc1ccc(cc1)-c1c(C(CC2CC2)C(O)=O)c(C)nc2sc3CCCCc3c12
Show InChI InChI=1S/C25H27NO2S/c1-14-7-11-17(12-8-14)22-21(19(25(27)28)13-16-9-10-16)15(2)26-24-23(22)18-5-3-4-6-20(18)29-24/h7-8,11-12,16,19H,3-6,9-10,13H2,1-2H3,(H,27,28)
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n/an/a<1.00E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126680
PNG
(US8785638, 166)
Show SMILES CCCC(C(=O)NC#N)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C25H27N3OS/c1-4-7-19(24(29)27-14-26)21-16(3)28-25-23(18-8-5-6-9-20(18)30-25)22(21)17-12-10-15(2)11-13-17/h10-13,19H,4-9H2,1-3H3,(H,27,29)
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n/an/a 3.00E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126681
PNG
(US8785638, 167)
Show SMILES CCCC(C(N)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C24H28N2OS/c1-4-7-18(23(25)27)20-15(3)26-24-22(17-8-5-6-9-19(17)28-24)21(20)16-12-10-14(2)11-13-16/h10-13,18H,4-9H2,1-3H3,(H2,25,27)
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n/an/a 6.37E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126682
PNG
(US8785638, 170)
Show SMILES Cc1ccc(cc1)-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2sc3CCCCc3c12
Show InChI InChI=1S/C25H29NO3S/c1-14-10-12-16(13-11-14)20-19(22(24(27)28)29-25(3,4)5)15(2)26-23-21(20)17-8-6-7-9-18(17)30-23/h10-13,22H,6-9H2,1-5H3,(H,27,28)
PDB
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n/an/a 50n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126683
PNG
(US8785638, 171)
Show SMILES CCOC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C23H25NO3S/c1-4-27-21(23(25)26)18-14(3)24-22-20(16-7-5-6-8-17(16)28-22)19(18)15-11-9-13(2)10-12-15/h9-12,21H,4-8H2,1-3H3,(H,25,26)
PDB
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n/an/a 1.21E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126684
PNG
(US8785638, 173)
Show SMILES Cc1nc2sc3CCCCc3c2c(-c2cccnc2)c1C(OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C23H26N2O3S/c1-13-17(20(22(26)27)28-23(2,3)4)18(14-8-7-11-24-12-14)19-15-9-5-6-10-16(15)29-21(19)25-13/h7-8,11-12,20H,5-6,9-10H2,1-4H3,(H,26,27)
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n/an/a 5.90E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126685
PNG
(US8785638, 175)
Show SMILES CCCC(c1nnn[nH]1)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C24H27N5S/c1-4-7-18(23-26-28-29-27-23)20-15(3)25-24-22(17-8-5-6-9-19(17)30-24)21(20)16-12-10-14(2)11-13-16/h10-13,18H,4-9H2,1-3H3,(H,26,27,28,29)
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n/an/a<1.00E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126686
PNG
(US8785638, 177)
Show SMILES Cc1nc2sc3CCCCc3c2c(-c2cnn(C)c2)c1C(OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C22H27N3O3S/c1-12-16(19(21(26)27)28-22(2,3)4)17(13-10-23-25(5)11-13)18-14-8-6-7-9-15(14)29-20(18)24-12/h10-11,19H,6-9H2,1-5H3,(H,26,27)
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n/an/a 1.17E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126687
PNG
(US8785638, 181)
Show SMILES CCCC(C(O)=O)c1c(CC)nc2sc3CCCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C25H29NO2S/c1-4-8-18(25(27)28)22-19(5-2)26-24-23(17-9-6-7-10-20(17)29-24)21(22)16-13-11-15(3)12-14-16/h11-14,18H,4-10H2,1-3H3,(H,27,28)
PDB
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n/an/a 8.06E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126688
PNG
(US8785638, 182)
Show SMILES CCCC(C1SC(=O)NC1=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C26H28N2O2S2/c1-4-7-18(23-24(29)28-26(30)32-23)20-15(3)27-25-22(17-8-5-6-9-19(17)31-25)21(20)16-12-10-14(2)11-13-16/h10-13,18,23H,4-9H2,1-3H3,(H,28,29,30)
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n/an/a 8.00E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126689
PNG
(US8785638, 184)
Show SMILES Cc1ccc(cn1)-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2sc3CCCCc3c12
Show InChI InChI=1S/C24H28N2O3S/c1-13-10-11-15(12-25-13)19-18(21(23(27)28)29-24(3,4)5)14(2)26-22-20(19)16-8-6-7-9-17(16)30-22/h10-12,21H,6-9H2,1-5H3,(H,27,28)
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n/an/a 3.44E+3n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126690
PNG
(US8785638, 186)
Show SMILES Cc1nc2sc3CCCCc3c2c(-c2ccc3ncsc3c2)c1C(OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C25H26N2O3S2/c1-13-19(22(24(28)29)30-25(2,3)4)20(14-9-10-16-18(11-14)31-12-26-16)21-15-7-5-6-8-17(15)32-23(21)27-13/h9-12,22H,5-8H2,1-4H3,(H,28,29)
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n/an/a 430n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126691
PNG
(US8785638, 188)
Show SMILES Cc1nc2sc3CCCCc3c2c(Sc2ccccc2)c1C(OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C24H27NO3S2/c1-14-18(20(23(26)27)28-24(2,3)4)21(29-15-10-6-5-7-11-15)19-16-12-8-9-13-17(16)30-22(19)25-14/h5-7,10-11,20H,8-9,12-13H2,1-4H3,(H,26,27)
PDB
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n/an/a 1.37E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126692
PNG
(US8785638, 190)
Show SMILES Cc1nc2sc3CCCCc3c2c(-c2ccc3OCCc4ccnc2c34)c1C(OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C29H30N2O4S/c1-15-21(26(28(32)33)35-29(2,3)4)23(24-17-7-5-6-8-20(17)36-27(24)31-15)18-9-10-19-22-16(12-14-34-19)11-13-30-25(18)22/h9-11,13,26H,5-8,12,14H2,1-4H3,(H,32,33)
PDB
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n/an/a 370n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair
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