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Compile Data Set for Download or QSAR

Found 84 hits of ic50 for UniProtKB: P03367   
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
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
MMDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
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)

More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126676
PNG
(US8785638, 161)
Show SMILES [NH4+].CCCC(C([O-])=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1O |(6.21,-1.54,;3.65,2.31,;3.65,.77,;2.32,,;2.32,-1.54,;3.65,-2.31,;4.98,-1.54,;3.65,-3.85,;.98,-2.31,;.98,-3.85,;2.32,-4.62,;-.35,-4.62,;-1.68,-3.85,;-3.15,-4.33,;-4.05,-3.08,;-5.59,-2.92,;-6.21,-1.51,;-5.31,-.27,;-3.77,-.43,;-3.15,-1.83,;-1.68,-2.31,;-.35,-1.54,;-.35,,;.98,.77,;.98,2.31,;-.35,3.08,;-.35,4.62,;-1.68,2.31,;-1.68,.77,;-3.02,,)|
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
MMDB

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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)

More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98672
PNG
(US8497270, 35)
Show SMILES COC(=O)c1nc(Br)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H13BrN2O5S/c1-10-5-7-11(8-6-10)26(22,23)25-15-13-12(4-3-9-19-13)16(18)20-14(15)17(21)24-2/h3-9H,1-2H3
PDB
MMDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 200n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)

More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98668
PNG
(US8497270, 29)
Show SMILES CNS(=O)(=O)CCCCN=[N]#N
Show InChI InChI=1S/C5H12N4O2S/c1-7-12(10,11)5-3-2-4-8-9-6/h7H,2-5H2,1H3
PDB
MMDB

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n/an/a 250n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)

More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98669
PNG
(US8497270, 30)
Show SMILES CNS(=O)(=O)CCCCN
Show InChI InChI=1S/C5H14N2O2S/c1-7-10(8,9)5-3-2-4-6/h7H,2-6H2,1H3
PDB
MMDB

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US Patent
n/an/a 360n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)

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 |(3.1,-5,;1.77,-4.23,;.43,-5,;-.9,-4.23,;-2.37,-4.71,;-3.27,-3.47,;-4.8,-3.3,;-5.43,-1.9,;-4.52,-.65,;-2.99,-.81,;-2.37,-2.22,;-.9,-2.69,;.43,-1.93,;.43,-.38,;1.77,.38,;1.77,1.93,;.43,2.69,;.43,4.23,;-.9,5,;-2.24,4.23,;-2.24,2.69,;-3.57,1.93,;-3.57,.38,;-2.24,-.38,;-.9,.38,;-.9,1.93,;1.77,-2.69,;2.85,-1.61,;2.45,-.12,;3.54,.97,;3.14,2.46,;5.03,.57,;4.63,2.06,;4.34,-2,;4.74,-3.49,;5.43,-.91,)|
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)

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)
PDB
MMDB

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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)

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)
PDB
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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)

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)
PDB
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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)

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)
PDB
MMDB

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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)

More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98665
PNG
(US8497270, 24)
Show SMILES COC(=O)c1nc(Br)c2cccnc2c1OCc1ccccc1
Show InChI InChI=1S/C17H13BrN2O3/c1-22-17(21)14-15(23-10-11-6-3-2-4-7-11)13-12(16(18)20-14)8-5-9-19-13/h2-9H,10H2,1H3
PDB
MMDB

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UniChem
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n/an/a 950n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)

More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98667
PNG
(US8497270, 28)
Show SMILES CNS(=O)(=O)CCCCCl
Show InChI InChI=1S/C5H12ClNO2S/c1-7-10(8,9)5-3-2-4-6/h7H,2-5H2,1H3
PDB
MMDB

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UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)

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 |r|
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
PDB
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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)

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)
PDB
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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)

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)
PDB
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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)

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)
PDB
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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)

More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98670
PNG
(US8497270, 31)
Show SMILES CNS(=O)(=O)CCCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C10H22N2O4S/c1-10(2,3)16-9(13)12-7-5-6-8-17(14,15)11-4/h11H,5-8H2,1-4H3,(H,12,13)
PDB
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UniChem
US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)

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)

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
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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)

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)
PDB
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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)

More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98671
PNG
(US8497270, 32)
Show SMILES CNS(=O)(=O)CCCCC#N
Show InChI InChI=1S/C6H12N2O2S/c1-8-11(9,10)6-4-2-3-5-7/h8H,2-4,6H2,1H3
PDB
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UniChem
US Patent
n/an/a 1.60E+3n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)

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
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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)

More data for this
Ligand-Target Pair
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 |r|
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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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
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)

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)

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)

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)

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)

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 |r|
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
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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)
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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)

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)

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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UniChem
US Patent
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)

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)

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)

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 |r|
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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Article
PubMed
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
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)

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)

More data for this
Ligand-Target Pair
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