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PubMed code 1560443

Compile data set for download or QSAR
Found 30 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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005688
PNG
(CHEMBL3085518 | N*1*-[1-Benzyl-3-(2-tert-butylcarb...)
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)COc1cccc2ccccc12
Show InChI InChI=1S/C35H43N5O7/c1-35(2,3)39-33(45)27-16-10-18-40(27)34(46)31(43)25(19-22-11-5-4-6-12-22)38-32(44)26(20-29(36)41)37-30(42)21-47-28-17-9-14-23-13-7-8-15-24(23)28/h4-9,11-15,17,25-27,31,43H,10,16,18-21H2,1-3H3,(H2,36,41)(H,37,42)(H,38,44)(H,39,45)/t25-,26-,27-,31-/m0/s1
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0.400n/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)


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005701
PNG
(CHEMBL337283 | N*1*-[1-Benzyl-3-(2-tert-butylcarba...)
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)c1ccc2ccccc2n1
Show InChI InChI=1S/C33H40N6O6/c1-33(2,3)38-31(44)26-14-9-17-39(26)32(45)28(41)24(18-20-10-5-4-6-11-20)36-30(43)25(19-27(34)40)37-29(42)23-16-15-21-12-7-8-13-22(21)35-23/h4-8,10-13,15-16,24-26,28,41H,9,14,17-19H2,1-3H3,(H2,34,40)(H,36,43)(H,37,42)(H,38,44)/t24-,25-,26-,28-/m0/s1
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0.900n/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)


Citation and Details
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)


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005688
PNG
(CHEMBL3085518 | N*1*-[1-Benzyl-3-(2-tert-butylcarb...)
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)COc1cccc2ccccc12
Show InChI InChI=1S/C35H43N5O7/c1-35(2,3)39-33(45)27-16-10-18-40(27)34(46)31(43)25(19-22-11-5-4-6-12-22)38-32(44)26(20-29(36)41)37-30(42)21-47-28-17-9-14-23-13-7-8-15-24(23)28/h4-9,11-15,17,25-27,31,43H,10,16,18-21H2,1-3H3,(H2,36,41)(H,37,42)(H,38,44)(H,39,45)/t25-,26-,27-,31-/m0/s1
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n/an/a 0.580n/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.


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005701
PNG
(CHEMBL337283 | N*1*-[1-Benzyl-3-(2-tert-butylcarba...)
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)c1ccc2ccccc2n1
Show InChI InChI=1S/C33H40N6O6/c1-33(2,3)38-31(44)26-14-9-17-39(26)32(45)28(41)24(18-20-10-5-4-6-11-20)36-30(43)25(19-27(34)40)37-29(42)23-16-15-21-12-7-8-13-22(21)35-23/h4-8,10-13,15-16,24-26,28,41H,9,14,17-19H2,1-3H3,(H2,34,40)(H,36,43)(H,37,42)(H,38,44)/t24-,25-,26-,28-/m0/s1
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n/an/a 1.10n/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.


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005694
PNG
(CHEMBL334985 | N*1*-[1-Benzyl-3-(2-tert-butylcarba...)
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)COc1ccc2ccccc2c1
Show InChI InChI=1S/C35H43N5O7/c1-35(2,3)39-33(45)28-14-9-17-40(28)34(46)31(43)26(18-22-10-5-4-6-11-22)38-32(44)27(20-29(36)41)37-30(42)21-47-25-16-15-23-12-7-8-13-24(23)19-25/h4-8,10-13,15-16,19,26-28,31,43H,9,14,17-18,20-21H2,1-3H3,(H2,36,41)(H,37,42)(H,38,44)(H,39,45)/t26-,27-,28-,31-/m0/s1
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n/an/a 1.30n/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.


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005695
PNG
(1-(2-Hydroxy-3-{3-methyl-2-[2-(naphthalen-1-yloxy)...)
Show SMILES CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C36H46N4O6/c1-23(2)31(38-30(41)22-46-29-19-11-16-25-15-9-10-17-26(25)29)34(44)37-27(21-24-13-7-6-8-14-24)32(42)35(45)40-20-12-18-28(40)33(43)39-36(3,4)5/h6-11,13-17,19,23,27-28,31-32,42H,12,18,20-22H2,1-5H3,(H,37,44)(H,38,41)(H,39,43)/t27-,28+,31-,32?/m0/s1
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n/an/a 1.90n/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.


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368601
PNG
(CHEMBL1794048)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)C(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 3.10n/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.


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005697
PNG
(CHEMBL3085539 | {1-[1-Benzyl-3-(2-tert-butylcarbam...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H44N4O6/c1-21(2)26(34-31(41)42-20-23-15-10-7-11-16-23)29(39)33-24(19-22-13-8-6-9-14-22)27(37)30(40)36-18-12-17-25(36)28(38)35-32(3,4)5/h6-11,13-16,21,24-27,37H,12,17-20H2,1-5H3,(H,33,39)(H,34,41)(H,35,38)/t24-,25+,26-,27-/m0/s1
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n/an/a 4.30n/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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005698
PNG
(2-[2-({1-[3-(2-Benzyloxycarbonylamino-3-carbamoyl-...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H]1CCCN1CC(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-/m0/s1
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n/an/a 13n/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)


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50406723
PNG
(CHEMBL2093070)
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)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-/m0/s1
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n/an/a 16n/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.


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50283721
PNG
(CHEMBL93082 | {(S)-1-[(1S,2R)-1-Benzyl-3-((S)-2-te...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H45N5O6/c1-32(2,3)36-30(41)26-16-10-11-17-37(26)20-27(38)24(18-22-12-6-4-7-13-22)34-29(40)25(19-28(33)39)35-31(42)43-21-23-14-8-5-9-15-23/h4-9,12-15,24-27,38H,10-11,16-21H2,1-3H3,(H2,33,39)(H,34,40)(H,35,42)(H,36,41)/t24-,25-,26-,27+/m0/s1
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n/an/a 18n/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)


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005689
PNG
(CHEMBL24181 | {1-[1-Benzyl-3-(2-tert-butylcarbamoy...)
Show SMILES CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H39N5O7/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/h4-9,11-14,22-24H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24+/m0/s1
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n/an/a 20n/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.


Citation and Details
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 CCC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)C(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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50407048
PNG
(CHEMBL3085513)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C38H48N6O6/c1-38(2,3)43-36(49)31-20-25-14-7-8-15-26(25)22-44(31)37(50)33(46)29(19-23-11-5-4-6-12-23)41-35(48)30(21-32(39)45)42-34(47)28-18-17-24-13-9-10-16-27(24)40-28/h4-6,9-13,16-18,25-26,29-31,33,46H,7-8,14-15,19-22H2,1-3H3,(H2,39,45)(H,41,48)(H,42,47)(H,43,49)/t25-,26+,29-,30-,31-,33-/m0/s1
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n/an/a 27n/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.


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005687
PNG
(1-[3-(2-Benzyloxycarbonylamino-3-carbamoyl-propion...)
Show SMILES CC(C)(C)OC(=O)[C@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H42N4O7/c1-31(2,3)42-29(39)25-15-10-16-35(25)19-26(36)23(17-21-11-6-4-7-12-21)33-28(38)24(18-27(32)37)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-20H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40)/t23-,24-,25+,26?/m0/s1
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n/an/a 51n/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 (by Dixon analysis)


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50407034
PNG
(CHEMBL132945)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C36H49N5O7/c1-36(2,3)40-33(45)29-19-25-16-10-11-17-26(25)21-41(29)34(46)31(43)27(18-23-12-6-4-7-13-23)38-32(44)28(20-30(37)42)39-35(47)48-22-24-14-8-5-9-15-24/h4-9,12-15,25-29,31,43H,10-11,16-22H2,1-3H3,(H2,37,42)(H,38,44)(H,39,47)(H,40,45)/t25-,26+,27-,28-,29-,31-/m0/s1
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n/an/a 84n/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.


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005703
PNG
(2-[2-({1-[3-(2-Benzyloxycarbonylamino-3-carbamoyl-...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H]1CCCN1CC(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-/m0/s1
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n/an/a>100n/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)


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005687
PNG
(1-[3-(2-Benzyloxycarbonylamino-3-carbamoyl-propion...)
Show SMILES CC(C)(C)OC(=O)[C@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H42N4O7/c1-31(2,3)42-29(39)25-15-10-16-35(25)19-26(36)23(17-21-11-6-4-7-12-21)33-28(38)24(18-27(32)37)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-20H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40)/t23-,24-,25+,26?/m0/s1
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n/an/a 130n/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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005687
PNG
(1-[3-(2-Benzyloxycarbonylamino-3-carbamoyl-propion...)
Show SMILES CC(C)(C)OC(=O)[C@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H42N4O7/c1-31(2,3)42-29(39)25-15-10-16-35(25)19-26(36)23(17-21-11-6-4-7-12-21)33-28(38)24(18-27(32)37)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-20H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40)/t23-,24-,25+,26?/m0/s1
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n/an/a 140n/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)


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005687
PNG
(1-[3-(2-Benzyloxycarbonylamino-3-carbamoyl-propion...)
Show SMILES CC(C)(C)OC(=O)[C@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H42N4O7/c1-31(2,3)42-29(39)25-15-10-16-35(25)19-26(36)23(17-21-11-6-4-7-12-21)33-28(38)24(18-27(32)37)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-20H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40)/t23-,24-,25+,26?/m0/s1
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n/an/a 180n/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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005693
PNG
(CHEMBL25011 | {1-[1-Benzyl-3-(2-tert-butylcarbamoy...)
Show SMILES CC(C)(C)NC(=O)C1CCCN1CC(O)C(Cc1ccccc1)NC(=O)C(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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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)


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005687
PNG
(1-[3-(2-Benzyloxycarbonylamino-3-carbamoyl-propion...)
Show SMILES CC(C)(C)OC(=O)[C@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H42N4O7/c1-31(2,3)42-29(39)25-15-10-16-35(25)19-26(36)23(17-21-11-6-4-7-12-21)33-28(38)24(18-27(32)37)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-20H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40)/t23-,24-,25+,26?/m0/s1
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n/an/a 300n/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)


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005687
PNG
(1-[3-(2-Benzyloxycarbonylamino-3-carbamoyl-propion...)
Show SMILES CC(C)(C)OC(=O)[C@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H42N4O7/c1-31(2,3)42-29(39)25-15-10-16-35(25)19-26(36)23(17-21-11-6-4-7-12-21)33-28(38)24(18-27(32)37)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-20H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40)/t23-,24-,25+,26?/m0/s1
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n/an/a 450n/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 Rich etal)


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005702
PNG
(CHEMBL25206 | [1-Benzyl-3-(2-tert-butylcarbamoyl-p...)
Show SMILES CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)C(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H35N3O5/c1-27(2,3)29-24(32)22-15-10-16-30(22)25(33)23(31)21(17-19-11-6-4-7-12-19)28-26(34)35-18-20-13-8-5-9-14-20/h4-9,11-14,21-23,31H,10,15-18H2,1-3H3,(H,28,34)(H,29,32)/t21-,22+,23?/m0/s1
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n/an/a 460n/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.


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005704
PNG
(CHEMBL25116 | [1-Benzyl-3-(2-tert-butylcarbamoyl-p...)
Show SMILES CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H33N3O5/c1-27(2,3)29-24(32)22-15-10-16-30(22)25(33)23(31)21(17-19-11-6-4-7-12-19)28-26(34)35-18-20-13-8-5-9-14-20/h4-9,11-14,21-22H,10,15-18H2,1-3H3,(H,28,34)(H,29,32)/t21-,22+/m0/s1
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n/an/a 600n/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.


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50406724
PNG
(CHEMBL2092733)
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)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-/m0/s1
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n/an/a 850n/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.


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005705
PNG
(1-(3-Benzyloxycarbonylamino-2-hydroxy-4-phenyl-but...)
Show SMILES CC(C)(C)OC(=O)[C@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H36N2O5/c1-27(2,3)34-25(31)23-15-10-16-29(23)18-24(30)22(17-20-11-6-4-7-12-20)28-26(32)33-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,30H,10,15-19H2,1-3H3,(H,28,32)/t22-,23+,24?/m0/s1
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n/an/a 6.50E+3n/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)


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%