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30 similar compounds to monomer 517

Compile data set for download or QSAR
Wt: 611.8
BDBM81680
Wt: 521.6
BDBM50037534
Wt: 613.7
BDBM50037535
Wt: 648.7
BDBM50037538
Wt: 550.7
BDBM50037541
Wt: 522.6
BDBM50037542
Wt: 612.8
BDBM50037529
Wt: 507.6
BDBM50037531
Wt: 644.8
BDBM50037533
Wt: 651.8
BDBM50091601
Wt: 648.2
BDBM50091602
Wt: 657.8
BDBM50091605
Wt: 643.8
BDBM50091611
Wt: 663.8
BDBM50091616
Wt: 659.8
BDBM50091620
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 81680,50037534,50037535,50037538,50037541,50037542,50037529,50037531,50037533,50091601,50091602,50091605,50091611,50091616,50091620   
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)
BDBM81680
PNG
(IDV)
Show SMILES CC(=N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](C[C@H](O)CN1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C37H49N5O3/c1-26(39-35-32-15-9-8-14-29(32)21-34(35)44)30(19-27-11-6-5-7-12-27)20-31(43)24-42-18-17-41(23-28-13-10-16-38-22-28)25-33(42)36(45)40-37(2,3)4/h5-16,22,30-31,33-35,43-44H,17-21,23-25H2,1-4H3,(H,40,45)/t30-,31-,33-,34+,35-/m0/s1
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0.180n/an/an/an/an/an/an/an/a



University of Maryland



Assay Description
Inhibition assay using HIV protease and Sulfonamide compounds.


Chem Biol Drug Des 69: 298-313 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00514.x
BindingDB Entry DOI: 10.7270/Q2TQ6011
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037531
PNG
((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C30H41N3O4/c1-30(2,3)32-29(37)25-14-9-15-33(25)19-23(34)17-22(16-20-10-5-4-6-11-20)28(36)31-27-24-13-8-7-12-21(24)18-26(27)35/h4-8,10-13,22-23,25-27,34-35H,9,14-19H2,1-3H3,(H,31,36)(H,32,37)/t22-,23+,25+,26-,27?/m1/s1
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n/an/a 347n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of HIV protease


J Med Chem 37: 3443-51 (1994)


Article DOI: 10.1021/jm00047a001
BindingDB Entry DOI: 10.7270/Q24J0D5K
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037538
PNG
((S)-4-(2,4-Difluoro-benzyl)-1-[(2S,4R)-2-hydroxy-4...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(F)cc2F)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C37H46F2N4O4/c1-37(2,3)41-36(47)32-23-42(21-26-13-14-28(38)20-31(26)39)15-16-43(32)22-29(44)18-27(17-24-9-5-4-6-10-24)35(46)40-34-30-12-8-7-11-25(30)19-33(34)45/h4-14,20,27,29,32-34,44-45H,15-19,21-23H2,1-3H3,(H,40,46)(H,41,47)/t27-,29+,32+,33-,34?/m1/s1
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n/an/a 0.310n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of HIV protease


J Med Chem 37: 3443-51 (1994)


Article DOI: 10.1021/jm00047a001
BindingDB Entry DOI: 10.7270/Q24J0D5K
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037535
PNG
((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccncc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-13-15-37-16-14-26)17-18-41(31)23-29(42)20-28(19-25-9-5-4-6-10-25)34(44)38-33-30-12-8-7-11-27(30)21-32(33)43/h4-16,28-29,31-33,42-43H,17-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33?/m1/s1
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n/an/a 0.390n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of HIV protease


J Med Chem 37: 3443-51 (1994)


Article DOI: 10.1021/jm00047a001
BindingDB Entry DOI: 10.7270/Q24J0D5K
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037542
PNG
((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CNCCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C30H42N4O4/c1-30(2,3)33-29(38)25-18-31-13-14-34(25)19-23(35)16-22(15-20-9-5-4-6-10-20)28(37)32-27-24-12-8-7-11-21(24)17-26(27)36/h4-12,22-23,25-27,31,35-36H,13-19H2,1-3H3,(H,32,37)(H,33,38)/t22-,23+,25+,26-,27?/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of HIV protease


J Med Chem 37: 3443-51 (1994)


Article DOI: 10.1021/jm00047a001
BindingDB Entry DOI: 10.7270/Q24J0D5K
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037534
PNG
((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C31H43N3O4/c1-31(2,3)33-30(38)26-15-9-10-16-34(26)20-24(35)18-23(17-21-11-5-4-6-12-21)29(37)32-28-25-14-8-7-13-22(25)19-27(28)36/h4-8,11-14,23-24,26-28,35-36H,9-10,15-20H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,26+,27-,28?/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of HIV protease


J Med Chem 37: 3443-51 (1994)


Article DOI: 10.1021/jm00047a001
BindingDB Entry DOI: 10.7270/Q24J0D5K
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037533
PNG
((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2S)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C37H48N4O4S/c1-37(2,3)39-36(45)31-24-40(22-27-14-8-10-16-33(27)46)17-18-41(31)23-29(42)20-28(19-25-11-5-4-6-12-25)35(44)38-34-30-15-9-7-13-26(30)21-32(34)43/h4-16,28-29,31-32,34,42-43,46H,17-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,34?/m1/s1
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n/an/a 0.540n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of HIV protease


J Med Chem 37: 3443-51 (1994)


Article DOI: 10.1021/jm00047a001
BindingDB Entry DOI: 10.7270/Q24J0D5K
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037541
PNG
((S)-4-Ethyl-1-[(2S,4R)-2-hydroxy-4-((R)-(R)-2-hydr...)
Show SMILES CCN1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H46N4O4/c1-5-35-15-16-36(27(21-35)31(40)34-32(2,3)4)20-25(37)18-24(17-22-11-7-6-8-12-22)30(39)33-29-26-14-10-9-13-23(26)19-28(29)38/h6-14,24-25,27-29,37-38H,5,15-21H2,1-4H3,(H,33,39)(H,34,40)/t24-,25+,27+,28-,29?/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of HIV protease


J Med Chem 37: 3443-51 (1994)


Article DOI: 10.1021/jm00047a001
BindingDB Entry DOI: 10.7270/Q24J0D5K
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50091601
PNG
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)
Show SMILES CC(C)(C)NC(=O)C1CN(Cc2c[nH]c3ccccc23)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12
Show InChI InChI=1S/C39H49N5O4/c1-39(2,3)42-38(48)34-25-43(23-29-22-40-33-16-10-9-14-31(29)33)17-18-44(34)24-30(45)20-28(19-26-11-5-4-6-12-26)37(47)41-36-32-15-8-7-13-27(32)21-35(36)46/h4-16,22,28,30,34-36,40,45-46H,17-21,23-25H2,1-3H3,(H,41,47)(H,42,48)
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in vitro.


J Med Chem 43: 3386-99 (2000)


Article DOI: 10.1021/jm9903848
BindingDB Entry DOI: 10.7270/Q23J3DP4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50091602
PNG
(4-(6-Chloro-pyridin-3-ylmethyl)-1-[2-hydroxy-4-(2-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Cl)nc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C36H46ClN5O4/c1-36(2,3)40-35(46)30-23-41(21-25-13-14-32(37)38-20-25)15-16-42(30)22-28(43)18-27(17-24-9-5-4-6-10-24)34(45)39-33-29-12-8-7-11-26(29)19-31(33)44/h4-14,20,27-28,30-31,33,43-44H,15-19,21-23H2,1-3H3,(H,39,45)(H,40,46)/t27-,28+,30+,31-,33?/m1/s1
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n/an/a 0.490n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in vitro.


J Med Chem 43: 3386-99 (2000)


Article DOI: 10.1021/jm9903848
BindingDB Entry DOI: 10.7270/Q23J3DP4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50091605
PNG
(4-(6-Ethoxy-pyridin-3-ylmethyl)-1-[2-hydroxy-4-(2-...)
Show SMILES CCOc1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)cn1
Show InChI InChI=1S/C38H51N5O5/c1-5-48-34-16-15-27(22-39-34)23-42-17-18-43(32(25-42)37(47)41-38(2,3)4)24-30(44)20-29(19-26-11-7-6-8-12-26)36(46)40-35-31-14-10-9-13-28(31)21-33(35)45/h6-16,22,29-30,32-33,35,44-45H,5,17-21,23-25H2,1-4H3,(H,40,46)(H,41,47)/t29-,30+,32+,33-,35?/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in vitro.


J Med Chem 43: 3386-99 (2000)


Article DOI: 10.1021/jm9903848
BindingDB Entry DOI: 10.7270/Q23J3DP4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50091611
PNG
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)
Show SMILES COc1ncccc1CN1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C37H49N5O5/c1-37(2,3)40-35(46)31-24-41(22-27-14-10-16-38-36(27)47-4)17-18-42(31)23-29(43)20-28(19-25-11-6-5-7-12-25)34(45)39-33-30-15-9-8-13-26(30)21-32(33)44/h5-16,28-29,31-33,43-44H,17-24H2,1-4H3,(H,39,45)(H,40,46)/t28-,29+,31+,32-,33?/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in vitro.


J Med Chem 43: 3386-99 (2000)


Article DOI: 10.1021/jm9903848
BindingDB Entry DOI: 10.7270/Q23J3DP4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50091616
PNG
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3ccccc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C40H49N5O4/c1-40(2,3)43-39(49)35-26-44(24-28-20-30-14-8-10-16-34(30)41-23-28)17-18-45(35)25-32(46)21-31(19-27-11-5-4-6-12-27)38(48)42-37-33-15-9-7-13-29(33)22-36(37)47/h4-16,20,23,31-32,35-37,46-47H,17-19,21-22,24-26H2,1-3H3,(H,42,48)(H,43,49)/t31-,32+,35+,36-,37?/m1/s1
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n/an/a 0.140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in vitro.


J Med Chem 43: 3386-99 (2000)


Article DOI: 10.1021/jm9903848
BindingDB Entry DOI: 10.7270/Q23J3DP4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50091620
PNG
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)
Show SMILES CSc1ncccc1CN1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C37H49N5O4S/c1-37(2,3)40-35(46)31-24-41(22-27-14-10-16-38-36(27)47-4)17-18-42(31)23-29(43)20-28(19-25-11-6-5-7-12-25)34(45)39-33-30-15-9-8-13-26(30)21-32(33)44/h5-16,28-29,31-33,43-44H,17-24H2,1-4H3,(H,39,45)(H,40,46)/t28-,29+,31+,32-,33?/m1/s1
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n/an/a 0.260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in vitro.


J Med Chem 43: 3386-99 (2000)


Article DOI: 10.1021/jm9903848
BindingDB Entry DOI: 10.7270/Q23J3DP4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037529
PNG
((S)-4-Benzyl-1-[(2S,4R)-2-hydroxy-4-((R)-(R)-2-hyd...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C37H48N4O4/c1-37(2,3)39-36(45)32-25-40(23-27-14-8-5-9-15-27)18-19-41(32)24-30(42)21-29(20-26-12-6-4-7-13-26)35(44)38-34-31-17-11-10-16-28(31)22-33(34)43/h4-17,29-30,32-34,42-43H,18-25H2,1-3H3,(H,38,44)(H,39,45)/t29-,30+,32+,33-,34?/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of HIV protease


J Med Chem 37: 3443-51 (1994)


Article DOI: 10.1021/jm00047a001
BindingDB Entry DOI: 10.7270/Q24J0D5K
More data for this
Ligand-Target Pair