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Compile Data Set for Download or QSAR

Found 76 hits of ph data with Target = 'Protease'   
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))
BDBM126622
PNG
(US8785638, 100)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C23H25NO2S/c1-4-6-17(23(25)26)19-14(3)24-22-21(16-7-5-8-18(16)27-22)20(19)15-11-9-13(2)10-12-15/h9-12,17H,4-8H2,1-3H3,(H,25,26)
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n/an/a 6.61E+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))
BDBM126623
PNG
(US8785638, 101)
Show SMILES Cc1ccc(cc1)-c1c(CC(O)=O)c(C)nc2sc3CCCc3c12
Show InChI InChI=1S/C20H19NO2S/c1-11-6-8-13(9-7-11)18-15(10-17(22)23)12(2)21-20-19(18)14-4-3-5-16(14)24-20/h6-9H,3-5,10H2,1-2H3,(H,22,23)
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n/an/a 5.53E+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))
BDBM126624
PNG
(US8785638, 105)
Show SMILES CCc1sc2nc(C)c(CC(O)=O)c(-c3ccc(C)cc3)c2c1C
Show InChI InChI=1S/C20H21NO2S/c1-5-16-12(3)18-19(14-8-6-11(2)7-9-14)15(10-17(22)23)13(4)21-20(18)24-16/h6-9H,5,10H2,1-4H3,(H,22,23)
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n/an/a 6.43E+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))
BDBM126625
PNG
(US8785638, 106)
Show SMILES Cc1cc2c(-c3ccc(C)cc3)c(CC(O)=O)c(C)nc2s1
Show InChI InChI=1S/C18H17NO2S/c1-10-4-6-13(7-5-10)17-14(9-16(20)21)12(3)19-18-15(17)8-11(2)22-18/h4-8H,9H2,1-3H3,(H,20,21)
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n/an/a 5.39E+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))
BDBM126626
PNG
(US8785638, 107)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccccc1
Show InChI InChI=1S/C22H23NO2S/c1-3-8-16(22(24)25)18-13(2)23-21-20(15-11-7-12-17(15)26-21)19(18)14-9-5-4-6-10-14/h4-6,9-10,16H,3,7-8,11-12H2,1-2H3,(H,24,25)
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n/an/a 3.47E+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))
BDBM126627
PNG
(US8785638, 108)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc(C)c(C)c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C22H25NO2S/c1-6-7-17(22(24)25)19-14(4)23-21-18(13(3)15(5)26-21)20(19)16-10-8-12(2)9-11-16/h8-11,17H,6-7H2,1-5H3,(H,24,25)
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n/an/a 4.48E+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))
BDBM126628
PNG
(US8785638, 109)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc(C)c(CC)c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C23H27NO2S/c1-6-8-18(23(25)26)19-14(4)24-22-21(17(7-2)15(5)27-22)20(19)16-11-9-13(3)10-12-16/h9-12,18H,6-8H2,1-5H3,(H,25,26)
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n/an/a 6.81E+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))
BDBM126629
PNG
(US8785638, 110)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc(C)cc2c1-c1ccc(C)cc1
Show InChI InChI=1S/C21H23NO2S/c1-5-6-16(21(23)24)18-14(4)22-20-17(11-13(3)25-20)19(18)15-9-7-12(2)8-10-15/h7-11,16H,5-6H2,1-4H3,(H,23,24)
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n/an/a 4.31E+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))
BDBM126630
PNG
(US8785638, 112)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClNO2S/c1-3-5-16(22(25)26)18-12(2)24-21-20(15-6-4-7-17(15)27-21)19(18)13-8-10-14(23)11-9-13/h8-11,16H,3-7H2,1-2H3,(H,25,26)
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n/an/a 1.11E+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))
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 750n/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))
BDBM126632
PNG
(US8785638, 114)
Show SMILES CCC[C@H](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)/t18-/m0/s1
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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))
BDBM126633
PNG
(US8785638, 115)
Show SMILES CCC[C@@H](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)/t18-/m1/s1
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n/an/a 1.76E+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))
BDBM126634
PNG
(US8785638, 116)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO2S/c1-3-5-16(22(28)29)18-12(2)27-21-20(15-6-4-7-17(15)30-21)19(18)13-8-10-14(11-9-13)23(24,25)26/h8-11,16H,3-7H2,1-2H3,(H,28,29)
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n/an/a 620n/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))
BDBM126635
PNG
(US8785638, 117)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccc(CC)cc1
Show InChI InChI=1S/C24H27NO2S/c1-4-7-18(24(26)27)20-14(3)25-23-22(17-8-6-9-19(17)28-23)21(20)16-12-10-15(5-2)11-13-16/h10-13,18H,4-9H2,1-3H3,(H,26,27)
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n/an/a 780n/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))
BDBM126636
PNG
(US8785638, 118)
Show SMILES CCCC(C(O)=O)c1c(C)nc2scc(C)c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C21H23NO2S/c1-5-6-16(21(23)24)18-14(4)22-20-17(13(3)11-25-20)19(18)15-9-7-12(2)8-10-15/h7-11,16H,5-6H2,1-4H3,(H,23,24)
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n/an/a 2.34E+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))
BDBM126637
PNG
(US8785638, 119)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sccc2c1-c1ccc(C)cc1
Show InChI InChI=1S/C20H21NO2S/c1-4-5-16(20(22)23)17-13(3)21-19-15(10-11-24-19)18(17)14-8-6-12(2)7-9-14/h6-11,16H,4-5H2,1-3H3,(H,22,23)
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n/an/a 2.66E+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))
BDBM126638
PNG
(US8785638, 120)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3ccccc3c2c1-c1ccc(C)cc1
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/h5-6,8-13,18H,4,7H2,1-3H3,(H,26,27)
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n/an/a 2.72E+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))
BDBM126639
PNG
(US8785638, 122)
Show SMILES COCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C23H25NO3S/c1-13-7-9-15(10-8-13)20-19(17(23(25)26)11-12-27-3)14(2)24-22-21(20)16-5-4-6-18(16)28-22/h7-10,17H,4-6,11-12H2,1-3H3,(H,25,26)
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n/an/a 3.20E+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))
BDBM126640
PNG
(US8785638, 124)
Show SMILES Cc1ccc(cc1)-c1c(C(=C)C(O)=O)c(C)nc2sc3CCCc3c12
Show InChI InChI=1S/C21H19NO2S/c1-11-7-9-14(10-8-11)18-17(12(2)21(23)24)13(3)22-20-19(18)15-5-4-6-16(15)25-20/h7-10H,2,4-6H2,1,3H3,(H,23,24)
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n/an/a 4.10E+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))
BDBM126641
PNG
(US8785638, 125)
Show SMILES COCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C22H23NO3S/c1-12-7-9-14(10-8-12)19-18(16(11-26-3)22(24)25)13(2)23-21-20(19)15-5-4-6-17(15)27-21/h7-10,16H,4-6,11H2,1-3H3,(H,24,25)
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n/an/a 7.70E+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))
BDBM126642
PNG
(US8785638, 126)
Show SMILES CCCC(C(O)=O)c1c(nc2sc3CCCc3c2c1-c1ccc(C)cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO2S/c1-3-8-21(28(30)31)24-23(18-15-13-17(2)14-16-18)25-20-11-7-12-22(20)32-27(25)29-26(24)19-9-5-4-6-10-19/h4-6,9-10,13-16,21H,3,7-8,11-12H2,1-2H3,(H,30,31)
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n/an/a 5.63E+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))
BDBM126643
PNG
(US8785638, 127)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CC(C)Cc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C24H27NO2S/c1-5-6-17(24(26)27)20-15(4)25-23-22(18-11-14(3)12-19(18)28-23)21(20)16-9-7-13(2)8-10-16/h7-10,14,17H,5-6,11-12H2,1-4H3,(H,26,27)
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n/an/a 2.85E+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))
BDBM126644
PNG
(US8785638, 128)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3C(C)CCc3c2c1-c1ccc(C)cc1
Show InChI InChI=1S/C24H27NO2S/c1-5-6-18(24(26)27)19-15(4)25-23-21(17-12-9-14(3)22(17)28-23)20(19)16-10-7-13(2)8-11-16/h7-8,10-11,14,18H,5-6,9,12H2,1-4H3,(H,26,27)
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n/an/a 1.13E+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))
BDBM126645
PNG
(US8785638, 129)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccco1
Show InChI InChI=1S/C20H21NO3S/c1-3-6-13(20(22)23)16-11(2)21-19-17(12-7-4-9-15(12)25-19)18(16)14-8-5-10-24-14/h5,8,10,13H,3-4,6-7,9H2,1-2H3,(H,22,23)
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n/an/a 4.80E+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))
BDBM126646
PNG
(US8785638, 130)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1cccs1
Show InChI InChI=1S/C20H21NO2S2/c1-3-6-13(20(22)23)16-11(2)21-19-17(12-7-4-8-14(12)25-19)18(16)15-9-5-10-24-15/h5,9-10,13H,3-4,6-8H2,1-2H3,(H,22,23)
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n/an/a 3.06E+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))
BDBM126647
PNG
(US8785638, 131)
Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C23H25NO3S/c1-4-6-17(23(25)26)19-13(2)24-22-21(16-7-5-8-18(16)28-22)20(19)14-9-11-15(27-3)12-10-14/h9-12,17H,4-8H2,1-3H3,(H,25,26)
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n/an/a 4.54E+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))
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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UniChem

Similars

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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

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)
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

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)
PDB
MMDB

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PC sid
UniChem

Similars

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)
PDB
MMDB

UniProtKB/SwissProt

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PC sid
UniChem

Similars

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
MMDB

UniProtKB/SwissProt

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PC sid
UniChem

Similars

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)
PDB
MMDB

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UniChem

Similars

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
MMDB

UniProtKB/SwissProt

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PC sid
UniChem

Similars

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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

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
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