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68 similar compounds to monomer 1244

Compile data set for download or QSAR
Wt: 736.8
BDBM196
Wt: 749.9
BDBM940
Wt: 749.9
BDBM950
Wt: 701.8
BDBM959
Wt: 609.7
BDBM50005700
Wt: 580.7
BDBM1229
Wt: 622.7
BDBM1230
Wt: 624.8
BDBM1231
Wt: 624.8
BDBM1232
Wt: 624.8
BDBM1233
Wt: 624.8
BDBM1234
Wt: 568.7
BDBM1235
Wt: 624.8
BDBM1236
Wt: 525.6
BDBM1237
Wt: 511.6
BDBM1238
Displayed 1 to 15 (of 68 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 196,940,950,959,50005700,1229,1230,1231,1232,1233,1234,1235,1236,1237,1238   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM196
PNG
(A-74704 | CHEMBL307193 | benzyl N-[(1S)-1-{[(2S,4S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C43H52N4O7/c1-29(2)37(46-42(51)53-27-33-21-13-7-14-22-33)40(49)44-35(25-31-17-9-5-10-18-31)39(48)36(26-32-19-11-6-12-20-32)45-41(50)38(30(3)4)47-43(52)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,48H,25-28H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t35-,36-,37-,38-/m0/s1
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PubMed
4.5 -11.6n/an/an/an/an/a4.730



Abbott Laboratories



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...


Science 249: 527-33 (1990)


Article DOI: 10.1016/j.bmcl.2004.06.041
BindingDB Entry DOI: 10.7270/Q2QC01NV
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM950
PNG
(5PhBuCOOH deriv. | Statine deriv. 30 | Tle-Val-Sta...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H55N5O6/c1-30(2)25-37(41(51)46-28-34-21-13-7-14-22-34)48-43(53)39(45-27-33-19-11-6-12-20-33)40(50)36(26-32-17-9-5-10-18-32)47-42(52)38(31(3)4)49-44(54)55-29-35-23-15-8-16-24-35/h5-24,30-31,36-40,45,50H,25-29H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t36-,37-,38-,39+,40+/m0/s1
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44 -10.4n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM940
PNG
(5PhBuCOOH deriv. | Statine deriv. 20 | Tle-Val-Sta...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H55N5O6/c1-30(2)25-37(48-44(54)55-29-35-23-15-8-16-24-35)41(51)47-36(26-32-17-9-5-10-18-32)40(50)39(45-27-33-19-11-6-12-20-33)43(53)49-38(31(3)4)42(52)46-28-34-21-13-7-14-22-34/h5-24,30-31,36-40,45,50H,25-29H2,1-4H3,(H,46,52)(H,47,51)(H,48,54)(H,49,53)/t36-,37-,38-,39+,40+/m0/s1
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65 -10.2n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM959
PNG
(5PhBuCOOH deriv. | Statine deriv. 42 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C
Show InChI InChI=1S/C40H55N5O6/c1-26(2)32(44-39(50)51-25-30-21-15-10-16-22-30)36(47)42-31(23-28-17-11-8-12-18-28)35(46)34(41-24-29-19-13-9-14-20-29)37(48)43-33(27(3)4)38(49)45-40(5,6)7/h8-22,26-27,31-35,41,46H,23-25H2,1-7H3,(H,42,47)(H,43,48)(H,44,50)(H,45,49)/t31-,32-,33-,34+,35+/m0/s1
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72n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM950
PNG
(5PhBuCOOH deriv. | Statine deriv. 30 | Tle-Val-Sta...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H55N5O6/c1-30(2)25-37(41(51)46-28-34-21-13-7-14-22-34)48-43(53)39(45-27-33-19-11-6-12-20-33)40(50)36(26-32-17-9-5-10-18-32)47-42(52)38(31(3)4)49-44(54)55-29-35-23-15-8-16-24-35/h5-24,30-31,36-40,45,50H,25-29H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t36-,37-,38-,39+,40+/m0/s1
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1.10E+10n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM940
PNG
(5PhBuCOOH deriv. | Statine deriv. 20 | Tle-Val-Sta...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H55N5O6/c1-30(2)25-37(48-44(54)55-29-35-23-15-8-16-24-35)41(51)47-36(26-32-17-9-5-10-18-32)40(50)39(45-27-33-19-11-6-12-20-33)43(53)49-38(31(3)4)42(52)46-28-34-21-13-7-14-22-34/h5-24,30-31,36-40,45,50H,25-29H2,1-4H3,(H,46,52)(H,47,51)(H,48,54)(H,49,53)/t36-,37-,38-,39+,40+/m0/s1
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6.46E+10n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM959
PNG
(5PhBuCOOH deriv. | Statine deriv. 42 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C
Show InChI InChI=1S/C40H55N5O6/c1-26(2)32(44-39(50)51-25-30-21-15-10-16-22-30)36(47)42-31(23-28-17-11-8-12-18-28)35(46)34(41-24-29-19-13-9-14-20-29)37(48)43-33(27(3)4)38(49)45-40(5,6)7/h8-22,26-27,31-35,41,46H,23-25H2,1-7H3,(H,42,47)(H,43,48)(H,44,50)(H,45,49)/t31-,32-,33-,34+,35+/m0/s1
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7.24E+10n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1237
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 9 | benzyl N-[...)
Show SMILES CC(C)(C)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C30H43N3O5/c1-29(2,3)23(18-26(35)33-30(4,5)6)27(36)31-19-25(34)24(17-21-13-9-7-10-14-21)32-28(37)38-20-22-15-11-8-12-16-22/h7-16,23-25,34H,17-20H2,1-6H3,(H,31,36)(H,32,37)(H,33,35)/t23-,24-,25+/m0/s1
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n/an/a 19n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



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 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1238
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 10 | benzyl N-...)
Show SMILES CC(C)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C29H41N3O5/c1-20(2)31-26(34)17-23(29(3,4)5)27(35)30-18-25(33)24(16-21-12-8-6-9-13-21)32-28(36)37-19-22-14-10-7-11-15-22/h6-15,20,23-25,33H,16-19H2,1-5H3,(H,30,35)(H,31,34)(H,32,36)/t23-,24-,25+/m0/s1
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n/an/a 19n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



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 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM196
PNG
(A-74704 | CHEMBL307193 | benzyl N-[(1S)-1-{[(2S,4S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C43H52N4O7/c1-29(2)37(46-42(51)53-27-33-21-13-7-14-22-33)40(49)44-35(25-31-17-9-5-10-18-31)39(48)36(26-32-19-11-6-12-20-32)45-41(50)38(30(3)4)47-43(52)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,48H,25-28H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t35-,36-,37-,38-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Université de la Méditerranée

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against HIV-protease was evaluated


Bioorg Med Chem Lett 8: 1861-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00323-0
BindingDB Entry DOI: 10.7270/Q25T3JNQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM196
PNG
(A-74704 | CHEMBL307193 | benzyl N-[(1S)-1-{[(2S,4S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C43H52N4O7/c1-29(2)37(46-42(51)53-27-33-21-13-7-14-22-33)40(49)44-35(25-31-17-9-5-10-18-31)39(48)36(26-32-19-11-6-12-20-32)45-41(50)38(30(3)4)47-43(52)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,48H,25-28H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t35-,36-,37-,38-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for its affinity against HIV-1 protease


J Med Chem 34: 2305-14 (1991)


Article DOI: 10.1021/jm00112a001
BindingDB Entry DOI: 10.7270/Q2862H21
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005700
PNG
(CHEMBL3085514 | benzyl N-[(1S)-1-{[(2S)-4-[2-(tert...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H43N5O7/c1-32(2,3)36-29(41)25-16-10-11-17-37(25)30(42)27(39)23(18-21-12-6-4-7-13-21)34-28(40)24(19-26(33)38)35-31(43)44-20-22-14-8-5-9-15-22/h4-9,12-15,23-25,27,39H,10-11,16-20H2,1-3H3,(H2,33,38)(H,34,40)(H,35,43)(H,36,41)/t23-,24-,25-,27-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Syntex Research Canada

Curated by ChEMBL


Assay Description
Inhibitory activity of the Compound was tested against HIV protease enzyme.


J Med Chem 35: 1318-20 (1992)


Article DOI: 10.1021/jm00085a020
BindingDB Entry DOI: 10.7270/Q2W959T5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005700
PNG
(CHEMBL3085514 | benzyl N-[(1S)-1-{[(2S)-4-[2-(tert...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H43N5O7/c1-32(2,3)36-29(41)25-16-10-11-17-37(25)30(42)27(39)23(18-21-12-6-4-7-13-21)34-28(40)24(19-26(33)38)35-31(43)44-20-22-14-8-5-9-15-22/h4-9,12-15,23-25,27,39H,10-11,16-20H2,1-3H3,(H2,33,38)(H,34,40)(H,35,43)(H,36,41)/t23-,24-,25-,27-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory potency against HIV-1 protease


J Med Chem 36: 4152-60 (1994)


Article DOI: 10.1021/jm00078a003
BindingDB Entry DOI: 10.7270/Q2PK0HCT
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1236
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 8 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC(=O)[C@H](CC(=O)NC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C35H52N4O6/c1-23(2)30(38-33(44)45-22-25-17-13-10-14-18-25)32(43)37-27(19-24-15-11-9-12-16-24)28(40)21-36-31(42)26(34(3,4)5)20-29(41)39-35(6,7)8/h9-18,23,26-28,30,40H,19-22H2,1-8H3,(H,36,42)(H,37,43)(H,38,44)(H,39,41)/t26-,27-,28-,30-/m0/s1
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n/an/a 50n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



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 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1234
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 6 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C[C@@H](C(=O)NC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C35H52N4O6/c1-23(2)30(38-33(44)45-22-25-17-13-10-14-18-25)32(43)37-27(19-24-15-11-9-12-16-24)28(40)21-36-29(41)20-26(34(3,4)5)31(42)39-35(6,7)8/h9-18,23,26-28,30,40H,19-22H2,1-8H3,(H,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27-,28+,30-/m0/s1
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n/an/a 125n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



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 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1233
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 5 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C[C@H](C(=O)NC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C35H52N4O6/c1-23(2)30(38-33(44)45-22-25-17-13-10-14-18-25)32(43)37-27(19-24-15-11-9-12-16-24)28(40)21-36-29(41)20-26(34(3,4)5)31(42)39-35(6,7)8/h9-18,23,26-28,30,40H,19-22H2,1-8H3,(H,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27+,28-,30+/m1/s1
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PubMed
n/an/a 4.85E+3n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



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 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1232
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 4 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)[C@@H](CC(=O)NC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C35H52N4O6/c1-23(2)30(38-33(44)45-22-25-17-13-10-14-18-25)32(43)37-27(19-24-15-11-9-12-16-24)28(40)21-36-31(42)26(34(3,4)5)20-29(41)39-35(6,7)8/h9-18,23,26-28,30,40H,19-22H2,1-8H3,(H,36,42)(H,37,43)(H,38,44)(H,39,41)/t26-,27+,28-,30+/m1/s1
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PubMed
n/an/a 25n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



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 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1231
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 3 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)[C@H](CC(=O)NC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C35H52N4O6/c1-23(2)30(38-33(44)45-22-25-17-13-10-14-18-25)32(43)37-27(19-24-15-11-9-12-16-24)28(40)21-36-31(42)26(34(3,4)5)20-29(41)39-35(6,7)8/h9-18,23,26-28,30,40H,19-22H2,1-8H3,(H,36,42)(H,37,43)(H,38,44)(H,39,41)/t26-,27-,28+,30-/m0/s1
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PubMed
n/an/a 3n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



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 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1230
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 2 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C1CCCCC1C(=O)NC(C)(C)C
Show InChI InChI=1S/C35H50N4O6/c1-23(2)30(38-34(44)45-22-25-16-10-7-11-17-25)33(43)37-28(20-24-14-8-6-9-15-24)29(40)21-36-31(41)26-18-12-13-19-27(26)32(42)39-35(3,4)5/h6-11,14-17,23,26-30,40H,12-13,18-22H2,1-5H3,(H,36,41)(H,37,43)(H,38,44)(H,39,42)/t26?,27?,28-,29+,30-/m0/s1
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PubMed
n/an/a 140n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



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 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1229
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 1 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H48N4O5/c1-23(2)29(35-32(41)42-22-25-16-10-7-11-17-25)31(40)34-26(20-24-14-8-6-9-15-24)28(38)21-37-19-13-12-18-27(37)30(39)36-33(3,4)5/h6-11,14-17,23,26-29,38H,12-13,18-22H2,1-5H3,(H,34,40)(H,35,41)(H,36,39)/t26-,27-,28+,29-/m0/s1
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PubMed
n/an/a 62n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



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 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1235
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 7 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)CCC(=O)NC(C)(C)C
Show InChI InChI=1S/C31H44N4O6/c1-21(2)28(34-30(40)41-20-23-14-10-7-11-15-23)29(39)33-24(18-22-12-8-6-9-13-22)25(36)19-32-26(37)16-17-27(38)35-31(3,4)5/h6-15,21,24-25,28,36H,16-20H2,1-5H3,(H,32,37)(H,33,39)(H,34,40)(H,35,38)/t24-,25+,28-/m0/s1
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PubMed
n/an/a 8.25E+3n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



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 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair