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PubMed code 10737742

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM729
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(2S)-...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
Show InChI InChI=1S/C41H52N6O5/c1-27(2)37(45-38(49)33-16-15-30-13-9-10-14-32(30)43-33)40(51)44-34(23-28-11-7-6-8-12-28)36(48)25-47-22-19-31(52-26-29-17-20-42-21-18-29)24-35(47)39(50)46-41(3,4)5/h6-18,20-21,27,31,34-37,48H,19,22-26H2,1-5H3,(H,44,51)(H,45,49)(H,46,50)/t31-,34+,35+,36-,37+/m1/s1
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0.0310 -62.4 4n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-2 Protease


(Human immunodeficiency virus type 2)
BDBM729
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(2S)-...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
Show InChI InChI=1S/C41H52N6O5/c1-27(2)37(45-38(49)33-16-15-30-13-9-10-14-32(30)43-33)40(51)44-34(23-28-11-7-6-8-12-28)36(48)25-47-22-19-31(52-26-29-17-20-42-21-18-29)24-35(47)39(50)46-41(3,4)5/h6-18,20-21,27,31,34-37,48H,19,22-26H2,1-5H3,(H,44,51)(H,45,49)(H,46,50)/t31-,34+,35+,36-,37+/m1/s1
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0.130 -58.7 10n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM748
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethyl...)
Show SMILES Cc1cc(S[C@@H]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)COc3c(C)cccc3C)[C@@H](C2)C(=O)NC(C)(C)C)nc(C)n1 |r|
Show InChI InChI=1S/C36H49N5O4S/c1-23-12-11-13-24(2)34(23)45-22-32(43)39-29(19-27-14-9-8-10-15-27)31(42)21-41-17-16-28(20-30(41)35(44)40-36(5,6)7)46-33-18-25(3)37-26(4)38-33/h8-15,18,28-31,42H,16-17,19-22H2,1-7H3,(H,39,43)(H,40,44)/t28-,29+,30+,31-/m1/s1
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n/an/a 1.5n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM747
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethyl...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)Sc1ccncc1 |r|
Show InChI InChI=1S/C35H46N4O4S/c1-24-10-9-11-25(2)33(24)43-23-32(41)37-29(20-26-12-7-6-8-13-26)31(40)22-39-19-16-28(44-27-14-17-36-18-15-27)21-30(39)34(42)38-35(3,4)5/h6-15,17-18,28-31,40H,16,19-23H2,1-5H3,(H,37,41)(H,38,42)/t28-,29+,30+,31-/m1/s1
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n/an/a 1.60n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM746
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethyl...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)SCc1cccnc1 |r|
Show InChI InChI=1S/C36H48N4O4S/c1-25-11-9-12-26(2)34(25)44-23-33(42)38-30(19-27-13-7-6-8-14-27)32(41)22-40-18-16-29(45-24-28-15-10-17-37-21-28)20-31(40)35(43)39-36(3,4)5/h6-15,17,21,29-32,41H,16,18-20,22-24H2,1-5H3,(H,38,42)(H,39,43)/t29-,30+,31+,32-/m1/s1
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n/an/a 1.70n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM745
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethyl...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)SCc1ccncc1 |r|
Show InChI InChI=1S/C36H48N4O4S/c1-25-10-9-11-26(2)34(25)44-23-33(42)38-30(20-27-12-7-6-8-13-27)32(41)22-40-19-16-29(45-24-28-14-17-37-18-15-28)21-31(40)35(43)39-36(3,4)5/h6-15,17-18,29-32,41H,16,19-24H2,1-5H3,(H,38,42)(H,39,43)/t29-,30+,31+,32-/m1/s1
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n/an/a 1.80n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM577
PNG
((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1
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n/an/a 2.60n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM741
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethyl...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
Show InChI InChI=1S/C36H48N4O5/c1-25-10-9-11-26(2)34(25)45-24-33(42)38-30(20-27-12-7-6-8-13-27)32(41)22-40-19-16-29(44-23-28-14-17-37-18-15-28)21-31(40)35(43)39-36(3,4)5/h6-15,17-18,29-32,41H,16,19-24H2,1-5H3,(H,38,42)(H,39,43)/t29-,30+,31+,32-/m1/s1
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n/an/a 7n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM519
PNG
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
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n/an/a 8.40n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM743
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(3-hy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
Show InChI InChI=1S/C34H44N4O5/c1-23-27(11-8-12-30(23)39)32(41)36-28(19-24-9-6-5-7-10-24)31(40)21-38-18-15-26(43-22-25-13-16-35-17-14-25)20-29(38)33(42)37-34(2,3)4/h5-14,16-17,26,28-29,31,39-40H,15,18-22H2,1-4H3,(H,36,41)(H,37,42)/t26-,28+,29+,31-/m1/s1
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n/an/a 12n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM742
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethyl...)
Show SMILES CC(Oc1c(C)cccc1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r,w:1.0|
Show InChI InChI=1S/C37H50N4O5/c1-25-11-10-12-26(2)34(25)46-27(3)35(43)39-31(21-28-13-8-7-9-14-28)33(42)23-41-20-17-30(45-24-29-15-18-38-19-16-29)22-32(41)36(44)40-37(4,5)6/h7-16,18-19,27,30-33,42H,17,20-24H2,1-6H3,(H,39,43)(H,40,44)/t27?,30-,31+,32+,33-/m1/s1
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n/an/a 20n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM738
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[2-(2-...)
Show SMILES Cc1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
Show InChI InChI=1S/C35H46N4O5/c1-25-10-8-9-13-32(25)44-24-33(41)37-29(20-26-11-6-5-7-12-26)31(40)22-39-19-16-28(43-23-27-14-17-36-18-15-27)21-30(39)34(42)38-35(2,3)4/h5-15,17-18,28-31,40H,16,19-24H2,1-4H3,(H,37,41)(H,38,42)/t28-,29+,30+,31-/m1/s1
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n/an/a 120n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM736
PNG
((2-methylphenyl)methyl N-[(2S,3R)-4-[(2S,4R)-2-(te...)
Show SMILES Cc1ccccc1COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
Show InChI InChI=1S/C35H46N4O5/c1-25-10-8-9-13-28(25)24-44-34(42)37-30(20-26-11-6-5-7-12-26)32(40)22-39-19-16-29(43-23-27-14-17-36-18-15-27)21-31(39)33(41)38-35(2,3)4/h5-15,17-18,29-32,40H,16,19-24H2,1-4H3,(H,37,42)(H,38,41)/t29-,30+,31+,32-/m1/s1
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n/an/a 210n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM744
PNG
((3S)-oxolan-3-yl N-[(2S,3R)-4-[(2S,4R)-2-(tert-but...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)OCc1ccncc1 |r|
Show InChI InChI=1S/C31H44N4O6/c1-31(2,3)34-29(37)27-18-24(40-20-23-9-13-32-14-10-23)11-15-35(27)19-28(36)26(17-22-7-5-4-6-8-22)33-30(38)41-25-12-16-39-21-25/h4-10,13-14,24-28,36H,11-12,15-21H2,1-3H3,(H,33,38)(H,34,37)/t24-,25+,26+,27+,28-/m1/s1
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n/an/a 260n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM730
PNG
(Palinavir deriv. 2 | benzyl N-[(2S,3R)-4-[(2S,4R)-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccncc1 |r|
Show InChI InChI=1S/C34H44N4O5/c1-34(2,3)37-32(40)30-21-28(42-23-27-14-17-35-18-15-27)16-19-38(30)22-31(39)29(20-25-10-6-4-7-11-25)36-33(41)43-24-26-12-8-5-9-13-26/h4-15,17-18,28-31,39H,16,19-24H2,1-3H3,(H,36,41)(H,37,40)/t28-,29+,30+,31-/m1/s1
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n/an/a 400n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM739
PNG
((2,6-dimethylphenyl)methyl N-[(2S,3R)-4-[(2S,4R)-2...)
Show SMILES Cc1cccc(C)c1COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
Show InChI InChI=1S/C36H48N4O5/c1-25-10-9-11-26(2)30(25)24-45-35(43)38-31(20-27-12-7-6-8-13-27)33(41)22-40-19-16-29(44-23-28-14-17-37-18-15-28)21-32(40)34(42)39-36(3,4)5/h6-15,17-18,29,31-33,41H,16,19-24H2,1-5H3,(H,38,43)(H,39,42)/t29-,31+,32+,33-/m1/s1
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n/an/a 420n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM731
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-(2-phe...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1)OCc1ccncc1 |r|
Show InChI InChI=1S/C34H44N4O5/c1-34(2,3)37-33(41)30-21-28(42-23-26-14-17-35-18-15-26)16-19-38(30)22-31(39)29(20-25-10-6-4-7-11-25)36-32(40)24-43-27-12-8-5-9-13-27/h4-15,17-18,28-31,39H,16,19-24H2,1-3H3,(H,36,40)(H,37,41)/t28-,29+,30+,31-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
PubMed
n/an/a 1.10E+3n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM732
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-4-phenyl...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1)OCc1ccncc1 |r|
Show InChI InChI=1S/C35H46N4O4/c1-35(2,3)38-34(42)31-23-29(43-25-28-16-19-36-20-17-28)18-21-39(31)24-32(40)30(22-27-12-8-5-9-13-27)37-33(41)15-14-26-10-6-4-7-11-26/h4-13,16-17,19-20,29-32,40H,14-15,18,21-25H2,1-3H3,(H,37,41)(H,38,42)/t29-,30+,31+,32-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.40E+3n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM740
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[3-(2,6-dimethyl...)
Show SMILES Cc1cccc(C)c1CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
Show InChI InChI=1S/C37H50N4O4/c1-26-10-9-11-27(2)31(26)14-15-35(43)39-32(22-28-12-7-6-8-13-28)34(42)24-41-21-18-30(45-25-29-16-19-38-20-17-29)23-33(41)36(44)40-37(3,4)5/h6-13,16-17,19-20,30,32-34,42H,14-15,18,21-25H2,1-5H3,(H,39,43)(H,40,44)/t30-,32+,33+,34-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
PubMed
n/an/a 2.40E+3n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM737
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[3-(2-...)
Show SMILES Cc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
Show InChI InChI=1S/C36H48N4O4/c1-26-10-8-9-13-29(26)14-15-34(42)38-31(22-27-11-6-5-7-12-27)33(41)24-40-21-18-30(44-25-28-16-19-37-20-17-28)23-32(40)35(43)39-36(2,3)4/h5-13,16-17,19-20,30-33,41H,14-15,18,21-25H2,1-4H3,(H,38,42)(H,39,43)/t30-,31+,32+,33-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.50E+3n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM733
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-4-phenyl...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CSc1ccccc1)OCc1ccncc1 |r|
Show InChI InChI=1S/C34H44N4O4S/c1-34(2,3)37-33(41)30-21-27(42-23-26-14-17-35-18-15-26)16-19-38(30)22-31(39)29(20-25-10-6-4-7-11-25)36-32(40)24-43-28-12-8-5-9-13-28/h4-15,17-18,27,29-31,39H,16,19-24H2,1-3H3,(H,36,40)(H,37,41)/t27-,29+,30+,31-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 4.20E+3n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM735
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-4-phenyl...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1)OCc1ccncc1 |r|
Show InChI InChI=1S/C35H44N4O4/c1-35(2,3)38-34(42)31-23-29(43-25-28-16-19-36-20-17-28)18-21-39(31)24-32(40)30(22-27-12-8-5-9-13-27)37-33(41)15-14-26-10-6-4-7-11-26/h4-17,19-20,29-32,40H,18,21-25H2,1-3H3,(H,37,41)(H,38,42)/b15-14+/t29-,30+,31+,32-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.10E+4n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM734
PNG
((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-4-phenyl...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccccc1)OCc1ccncc1 |r|
Show InChI InChI=1S/C36H48N4O4/c1-36(2,3)39-35(43)32-24-30(44-26-29-17-20-37-21-18-29)19-22-40(32)25-33(41)31(23-28-13-8-5-9-14-28)38-34(42)16-10-15-27-11-6-4-7-12-27/h4-9,11-14,17-18,20-21,30-33,41H,10,15-16,19,22-26H2,1-3H3,(H,38,42)(H,39,43)/t30-,31+,32+,33-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+4n/an/an/an/a5.537



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 43: 1094-108 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%