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34 similar compounds to monomer 50368424

Compile data set for download or QSAR
Wt: 595.6
BDBM4215
Wt: 680.7
BDBM4224
Wt: 752.8
BDBM50368421
Wt: 832.0
BDBM50368417
Wt: 718.8
BDBM50368410
Wt: 942.1
BDBM50368418
Wt: 786.9
BDBM50368431
Wt: 880.0
BDBM50368432
Wt: 959.1
BDBM50368419
Wt: 916.1
BDBM50368428
Wt: 799.9
BDBM50368416
Wt: 581.7
BDBM50407043
Wt: 581.7
BDBM50005693
Wt: 766.8
BDBM50005696
Wt: 821.0
BDBM50010493
Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 4215,4224,50368421,50368417,50368410,50368418,50368431,50368432,50368419,50368428,50368416,50407043,50005693,50005696,50010493   
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)
BDBM4224
PNG
(AHPBA 32a | Z.Asn.( 2S,3S).AHPBA. [ 4( S)-morpholi...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C35H48N6O8/c1-35(2,3)39-32(45)28-19-25(40-14-16-48-17-15-40)21-41(28)33(46)30(43)26(18-23-10-6-4-7-11-23)37-31(44)27(20-29(36)42)38-34(47)49-22-24-12-8-5-9-13-24/h4-13,25-28,30,43H,14-22H2,1-3H3,(H2,36,42)(H,37,44)(H,38,47)(H,39,45)/t25?,26-,27-,28-,30-/m0/s1
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1 -12.8n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/j.bmcl.2004.08.037
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368416
PNG
(CHEMBL1790876 | CHEMBL3349487)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C43H57N7O8/c1-4-28(2)38(42(56)47-33(39(53)45-3)24-30-17-10-6-11-18-30)49-41(55)35-21-14-22-50(35)26-36(51)32(23-29-15-8-5-9-16-29)46-40(54)34(25-37(44)52)48-43(57)58-27-31-19-12-7-13-20-31/h5-13,15-20,28,32-36,38,51H,4,14,21-27H2,1-3H3,(H2,44,52)(H,45,53)(H,46,54)(H,47,56)(H,48,57)(H,49,55)/t28-,32+,33+,34+,35?,36-,38+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368431
PNG
(CHEMBL1790869 | CHEMBL3349480)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C42H54N6O9/c1-3-27(2)37(40(53)45-33(41(54)55)23-29-16-9-5-10-17-29)47-39(52)34-20-13-21-48(34)25-35(49)31(22-28-14-7-4-8-15-28)44-38(51)32(24-36(43)50)46-42(56)57-26-30-18-11-6-12-19-30/h4-12,14-19,27,31-35,37,49H,3,13,20-26H2,1-2H3,(H2,43,50)(H,44,51)(H,45,53)(H,46,56)(H,47,52)(H,54,55)/t27-,31+,32+,33+,34+,35-,37+/m1/s1
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2.40n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM4215
PNG
(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
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4n/an/an/an/an/an/an/an/a



Syntex Research Canada

Curated by ChEMBL


Assay Description
Binding affinity against HIV Protease enzyme.(by Dixon analysis)


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)
BDBM50368419
PNG
(CHEMBL1790872 | CHEMBL3349483)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)OC
Show InChI InChI=1S/C50H70N8O11/c1-7-30(4)44(49(67)56-39(50(68)69-6)25-33-19-20-34-16-11-12-17-35(34)23-33)57-48(66)41-18-13-21-58(41)27-42(61)36(24-32-14-9-8-10-15-32)53-46(64)38(26-43(51)62)55-45(63)37(22-29(2)3)54-47(65)40(28-59)52-31(5)60/h8-12,14-17,19-20,23,29-30,36-42,44,59,61H,7,13,18,21-22,24-28H2,1-6H3,(H2,51,62)(H,52,60)(H,53,64)(H,54,65)(H,55,63)(H,56,67)(H,57,66)/t30-,36+,37+,38+,39+,40+,41?,42-,44+/m1/s1
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5.10n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368428
PNG
(CHEMBL1790878 | CHEMBL3349489)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C49H69N7O10/c1-9-30(4)42(46(62)54-41(29(2)3)47(63)65-8)55-45(61)38-20-15-23-56(38)28-39(57)35(25-31-16-11-10-12-17-31)51-44(60)37(27-40(50)58)52-43(59)36(53-48(64)66-49(5,6)7)26-32-21-22-33-18-13-14-19-34(33)24-32/h10-14,16-19,21-22,24,29-30,35-39,41-42,57H,9,15,20,23,25-28H2,1-8H3,(H2,50,58)(H,51,60)(H,52,59)(H,53,64)(H,54,62)(H,55,61)/t30-,35+,36+,37+,38?,39-,41+,42+/m1/s1
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7.80n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368421
PNG
(CHEMBL1790888 | CHEMBL3349498)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C39H56N6O9/c1-6-25(4)34(37(50)43-33(24(2)3)38(51)53-5)44-36(49)30-18-13-19-45(30)22-31(46)28(20-26-14-9-7-10-15-26)41-35(48)29(21-32(40)47)42-39(52)54-23-27-16-11-8-12-17-27/h7-12,14-17,24-25,28-31,33-34,46H,6,13,18-23H2,1-5H3,(H2,40,47)(H,41,48)(H,42,52)(H,43,50)(H,44,49)/t25-,28+,29+,30?,31-,33+,34+/m1/s1
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9.70n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368418
PNG
(CHEMBL1790868 | CHEMBL3349479)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C51H71N7O10/c1-9-32(4)44(48(64)56-43(31(2)3)49(65)67-8)57-47(63)40-21-16-26-58(40)30-41(59)37(27-33-17-12-10-13-18-33)53-46(62)39(29-42(52)60)54-45(61)38(55-50(66)68-51(5,6)7)28-34-22-24-36(25-23-34)35-19-14-11-15-20-35/h10-15,17-20,22-25,31-32,37-41,43-44,59H,9,16,21,26-30H2,1-8H3,(H2,52,60)(H,53,62)(H,54,61)(H,55,66)(H,56,64)(H,57,63)/t32-,37+,38+,39+,40?,41-,43+,44+/m1/s1
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14n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368432
PNG
(CHEMBL1790879 | CHEMBL3349490)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C46H69N7O10/c1-9-29(4)39(43(59)51-38(28(2)3)44(60)62-8)52-42(58)35-21-16-24-53(35)27-36(54)33(25-31-19-14-11-15-20-31)48-41(57)34(26-37(47)55)49-40(56)32(50-45(61)63-46(5,6)7)23-22-30-17-12-10-13-18-30/h10-15,17-20,28-29,32-36,38-39,54H,9,16,21-27H2,1-8H3,(H2,47,55)(H,48,57)(H,49,56)(H,50,61)(H,51,59)(H,52,58)/t29-,32+,33+,34+,35?,36-,38+,39+/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4215
PNG
(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
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57.5 -10.3n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/j.bmcl.2004.08.037
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368417
PNG
(CHEMBL1790887 | CHEMBL3349497)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C42H69N7O10/c1-11-26(6)35(39(55)47-34(25(4)5)40(56)58-10)48-38(54)31-18-15-19-49(31)23-32(50)28(21-27-16-13-12-14-17-27)44-37(53)30(22-33(43)51)45-36(52)29(20-24(2)3)46-41(57)59-42(7,8)9/h12-14,16-17,24-26,28-32,34-35,50H,11,15,18-23H2,1-10H3,(H2,43,51)(H,44,53)(H,45,52)(H,46,57)(H,47,55)(H,48,54)/t26-,28+,29+,30+,31?,32-,34+,35+/m1/s1
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66n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368410
PNG
(CHEMBL1790893 | CHEMBL3349503)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C36H58N6O9/c1-9-22(4)30(33(47)40-29(21(2)3)34(48)50-8)41-32(46)26-16-13-17-42(26)20-27(43)24(18-23-14-11-10-12-15-23)38-31(45)25(19-28(37)44)39-35(49)51-36(5,6)7/h10-12,14-15,21-22,24-27,29-30,43H,9,13,16-20H2,1-8H3,(H2,37,44)(H,38,45)(H,39,49)(H,40,47)(H,41,46)/t22-,24+,25+,26?,27-,29+,30+/m1/s1
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440n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50407043
PNG
(CHEMBL3085516)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H43N5O6/c1-31(2,3)35-29(40)25-15-10-16-36(25)19-26(37)23(17-21-11-6-4-7-12-21)33-28(39)24(18-27(32)38)34-30(41)42-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,37H,10,15-20H2,1-3H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)/t23-,24-,25-,26-/m0/s1
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n/an/a 210n/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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM4215
PNG
(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
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n/an/a 7.40n/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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50010493
PNG
(Benzyloxycarbonyl-Asn-Phe-[S]-[CH(OH)CH2N]-decahyd...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CC2CCCCC2CN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C44H64N6O9/c1-6-28(4)39(42(55)48-38(27(2)3)43(56)58-5)49-41(54)35-22-31-19-13-14-20-32(31)24-50(35)25-36(51)33(21-29-15-9-7-10-16-29)46-40(53)34(23-37(45)52)47-44(57)59-26-30-17-11-8-12-18-30/h7-12,15-18,27-28,31-36,38-39,51H,6,13-14,19-26H2,1-5H3,(H2,45,52)(H,46,53)(H,47,57)(H,48,55)(H,49,54)/t28-,31?,32?,33-,34-,35?,36-,38-,39-/m0/s1
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Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Roche Products Ltd.

Curated by ChEMBL


Assay Description
Binding activity against HIV-1 Protease


J Med Chem 34: 3340-2 (1991)


Article DOI: 10.1021/jm00115a028
BindingDB Entry DOI: 10.7270/Q2B858Q3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005696
PNG
(2-[2-({1-[3-(2-Benzyloxycarbonylamino-3-carbamoyl-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C39H54N6O10/c1-6-24(4)32(36(50)43-31(23(2)3)38(52)54-5)44-35(49)29-18-13-19-45(29)37(51)33(47)27(20-25-14-9-7-10-15-25)41-34(48)28(21-30(40)46)42-39(53)55-22-26-16-11-8-12-17-26/h7-12,14-17,23-24,27-29,31-33,47H,6,13,18-22H2,1-5H3,(H2,40,46)(H,41,48)(H,42,53)(H,43,50)(H,44,49)/t24?,27-,28-,29+,31-,32-,33?/m0/s1
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n/an/a 25n/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)
BDBM50010493
PNG
(Benzyloxycarbonyl-Asn-Phe-[S]-[CH(OH)CH2N]-decahyd...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CC2CCCCC2CN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C44H64N6O9/c1-6-28(4)39(42(55)48-38(27(2)3)43(56)58-5)49-41(54)35-22-31-19-13-14-20-32(31)24-50(35)25-36(51)33(21-29-15-9-7-10-16-29)46-40(53)34(23-37(45)52)47-44(57)59-26-30-17-11-8-12-18-30/h7-12,15-18,27-28,31-36,38-39,51H,6,13-14,19-26H2,1-5H3,(H2,45,52)(H,46,53)(H,47,57)(H,48,55)(H,49,54)/t28-,31?,32?,33-,34-,35?,36-,38-,39-/m0/s1
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n/an/a>100n/an/an/an/an/an/a



Roche Products Ltd.

Curated by ChEMBL


Assay Description
Binding activity against HIV-1 Protease


J Med Chem 34: 3340-2 (1991)


Article DOI: 10.1021/jm00115a028
BindingDB Entry DOI: 10.7270/Q2B858Q3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM4215
PNG
(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
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n/an/a 7.40n/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)
BDBM50005693
PNG
(CHEMBL25011 | CHEMBL3349988 | {1-[1-Benzyl-3-(2-te...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H43N5O6/c1-31(2,3)35-29(40)25-15-10-16-36(25)19-26(37)23(17-21-11-6-4-7-12-21)33-28(39)24(18-27(32)38)34-30(41)42-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,37H,10,15-20H2,1-3H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)
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PubMed
n/an/a 210n/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.(value reported by Roche group)


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