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15 similar compounds to monomer 1198

Compile data set for download or QSAR
Wt: 582.7
BDBM860
Wt: 598.7
BDBM861
Wt: 642.7
BDBM862
Wt: 686.8
BDBM863
Wt: 598.7
BDBM868
Wt: 642.7
BDBM869
Wt: 503.6
BDBM1194
Wt: 589.7
BDBM1200
Wt: 605.7
BDBM1201
Wt: 694.8
BDBM50407685
Wt: 710.8
BDBM50407693
Wt: 602.7
BDBM50422091
Wt: 589.7
BDBM50422101
Wt: 443.5
BDBM50422113
Wt: 537.6
BDBM50422115

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 860,861,862,863,868,869,1194,1200,1201,50407685,50407693,50422091,50422101,50422113,50422115   
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)
BDBM862
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 26 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1/C34H50N4O8/c1-23(2)28-31(40)35-15-16-43-17-18-44-19-20-45-26-13-11-25(12-14-26)22-36-29(32(41)38-28)30(39)27(21-24-9-7-6-8-10-24)37-33(42)46-34(3,4)5/h6-14,23,27-30,36,39H,15-22H2,1-5H3,(H,35,40)(H,37,42)(H,38,41)/t27-,28?,29+,30?/s2
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12.6 -11.2n/an/an/an/an/a6.2537



Sandoz Research Institute



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 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM861
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 16 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1/C32H46N4O7/c1-21(2)26-29(38)33-15-16-41-17-18-42-24-13-11-23(12-14-24)20-34-27(30(39)36-26)28(37)25(19-22-9-7-6-8-10-22)35-31(40)43-32(3,4)5/h6-14,21,25-28,34,37H,15-20H2,1-5H3,(H,33,38)(H,35,40)(H,36,39)/t25-,26?,27+,28?/s2
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14 -11.1n/an/an/an/an/a6.2537



Sandoz Research Institute



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 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM860
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 25 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1/C32H46N4O6/c1-21(2)26-29(38)33-17-9-10-18-41-24-15-13-23(14-16-24)20-34-27(30(39)36-26)28(37)25(19-22-11-7-6-8-12-22)35-31(40)42-32(3,4)5/h6-8,11-16,21,25-28,34,37H,9-10,17-20H2,1-5H3,(H,33,38)(H,35,40)(H,36,39)/t25-,26?,27+,28?/s2
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17 -11.0n/an/an/an/an/a6.2537



Sandoz Research Institute



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 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM863
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 27 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCOCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1/C36H54N4O9/c1-25(2)30-33(42)37-15-16-45-17-18-46-19-20-47-21-22-48-28-13-11-27(12-14-28)24-38-31(34(43)40-30)32(41)29(23-26-9-7-6-8-10-26)39-35(44)49-36(3,4)5/h6-14,25,29-32,38,41H,15-24H2,1-5H3,(H,37,42)(H,39,44)(H,40,43)/t29-,30?,31+,32?/s2
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23.2 -10.8n/an/an/an/an/a6.2537



Sandoz Research Institute



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 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50407693
PNG
(CHEMBL148014)
Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C41H50N4O7/c1-41(2,3)37(45-40(50)52-28-32-17-11-6-12-18-32)39(49)44-34(25-29-13-7-4-8-14-29)36(47)35(38(48)43-27-30-15-9-5-10-16-30)42-26-31-19-21-33(22-20-31)51-24-23-46/h4-22,34-37,42,46-47H,23-28H2,1-3H3,(H,43,48)(H,44,49)(H,45,50)/t34-,35+,36+,37+/m0/s1
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33.9n/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)
BDBM50407685
PNG
(CHEMBL147831)
Show SMILES CCOc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C41H50N4O6/c1-5-50-33-23-21-31(22-24-33)26-42-35(38(47)43-27-30-17-11-7-12-18-30)36(46)34(25-29-15-9-6-10-16-29)44-39(48)37(41(2,3)4)45-40(49)51-28-32-19-13-8-14-20-32/h6-24,34-37,42,46H,5,25-28H2,1-4H3,(H,43,47)(H,44,48)(H,45,49)/t34-,35+,36+,37+/m0/s1
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37.2n/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)
BDBM868
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 17 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2cccc(OCCOCCNC1=O)c2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1/C32H46N4O7/c1-21(2)26-29(38)33-14-15-41-16-17-42-24-13-9-12-23(18-24)20-34-27(30(39)36-26)28(37)25(19-22-10-7-6-8-11-22)35-31(40)43-32(3,4)5/h6-13,18,21,25-28,34,37H,14-17,19-20H2,1-5H3,(H,33,38)(H,35,40)(H,36,39)/t25-,26?,27+,28?/s2
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68.8 -10.2n/an/an/an/an/a6.2537



Sandoz Research Institute



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 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM1201
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 18 | tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1/C34H43N3O7/c1-34(2,3)44-33(42)36-27(19-22-9-5-4-6-10-22)31(40)30(35-21-23-13-15-25(16-14-23)43-18-17-38)32(41)37-29-26-12-8-7-11-24(26)20-28(29)39/h4-16,27-31,35,38-40H,17-21H2,1-3H3,(H,36,42)(H,37,41)/t27-,28+,29-,30+,31+/s2
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79.4n/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)
BDBM1201
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 18 | tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1/C34H43N3O7/c1-34(2,3)44-33(42)36-27(19-22-9-5-4-6-10-22)31(40)30(35-21-23-13-15-25(16-14-23)43-18-17-38)32(41)37-29-26-12-8-7-11-24(26)20-28(29)39/h4-16,27-31,35,38-40H,17-21H2,1-3H3,(H,36,42)(H,37,41)/t27-,28+,29-,30+,31+/s2
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80 -10.1 4.00E+3n/an/an/an/a6.2537



Sandoz Research Institute



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 39: 2060-7 (1996)


Article DOI: 10.1021/jm9508696
BindingDB Entry DOI: 10.7270/Q2VT1Q89
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM1200
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 17 | tert-b...)
Show SMILES CCOc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1/C34H43N3O6/c1-5-42-25-17-15-23(16-18-25)21-35-30(32(40)37-29-26-14-10-9-13-24(26)20-28(29)38)31(39)27(19-22-11-7-6-8-12-22)36-33(41)43-34(2,3)4/h6-18,27-31,35,38-39H,5,19-21H2,1-4H3,(H,36,41)(H,37,40)/t27-,28+,29-,30+,31+/s2
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91.2n/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)
BDBM1200
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 17 | tert-b...)
Show SMILES CCOc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1/C34H43N3O6/c1-5-42-25-17-15-23(16-18-25)21-35-30(32(40)37-29-26-14-10-9-13-24(26)20-28(29)38)31(39)27(19-22-11-7-6-8-12-22)36-33(41)43-34(2,3)4/h6-18,27-31,35,38-39H,5,19-21H2,1-4H3,(H,36,41)(H,37,40)/t27-,28+,29-,30+,31+/s2
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92 -9.98n/an/an/an/an/a6.2537



Sandoz Research Institute



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 39: 2060-7 (1996)


Article DOI: 10.1021/jm9508696
BindingDB Entry DOI: 10.7270/Q2VT1Q89
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50422091
PNG
(CHEMBL344978)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C35H46N4O5/c1-24(2)29(32(41)37-23-27-19-13-8-14-20-27)39-33(42)30(36-22-26-17-11-7-12-18-26)31(40)28(21-25-15-9-6-10-16-25)38-34(43)44-35(3,4)5/h6-20,24,28-31,36,40H,21-23H2,1-5H3,(H,37,41)(H,38,43)(H,39,42)/t28-,29-,30+,31+/m0/s1
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158n/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)
BDBM869
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 31 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2cccc(OCCOCCOCCNC1=O)c2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1/C34H50N4O8/c1-23(2)28-31(40)35-14-15-43-16-17-44-18-19-45-26-13-9-12-25(20-26)22-36-29(32(41)38-28)30(39)27(21-24-10-7-6-8-11-24)37-33(42)46-34(3,4)5/h6-13,20,23,27-30,36,39H,14-19,21-22H2,1-5H3,(H,35,40)(H,37,42)(H,38,41)/t27-,28?,29+,30?/s2
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208 -9.48n/an/an/an/an/a6.2537



Sandoz Research Institute



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 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50422101
PNG
(CHEMBL359271)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C34H43N3O6/c1-34(2,3)43-33(41)37-29(21-23-9-5-4-6-10-23)31(39)30(35-22-24-13-16-26(17-14-24)42-20-19-38)32(40)36-28-18-15-25-11-7-8-12-27(25)28/h4-14,16-17,28-31,35,38-39H,15,18-22H2,1-3H3,(H,36,40)(H,37,41)/t28-,29+,30-,31-/m1/s1
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776n/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)
BDBM1194
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 9 | tert-bu...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1/C30H37N3O4/c1-30(2,3)37-29(36)33-25(19-22-13-7-4-8-14-22)27(34)26(31-20-23-15-9-5-10-16-23)28(35)32-21-24-17-11-6-12-18-24/h4-18,25-27,31,34H,19-21H2,1-3H3,(H,32,35)(H,33,36)/t25-,26+,27+/s2
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2.50E+3 -7.94n/an/an/an/an/a6.2537



Sandoz Research Institute



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 39: 2060-7 (1996)


Article DOI: 10.1021/jm9508696
BindingDB Entry DOI: 10.7270/Q2VT1Q89
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM1194
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 9 | tert-bu...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1/C30H37N3O4/c1-30(2,3)37-29(36)33-25(19-22-13-7-4-8-14-22)27(34)26(31-20-23-15-9-5-10-16-23)28(35)32-21-24-17-11-6-12-18-24/h4-18,25-27,31,34H,19-21H2,1-3H3,(H,32,35)(H,33,36)/t25-,26+,27+/s2
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2.51E+3n/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)
BDBM50422115
PNG
(CHEMBL145156)
Show SMILES O[C@H]([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@@H](NCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C33H35N3O4/c37-31(29(21-25-13-5-1-6-14-25)36-33(39)40-24-28-19-11-4-12-20-28)30(34-22-26-15-7-2-8-16-26)32(38)35-23-27-17-9-3-10-18-27/h1-20,29-31,34,37H,21-24H2,(H,35,38)(H,36,39)/t29-,30+,31+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.69E+3n/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)
BDBM50422113
PNG
(CHEMBL174923)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(N)=O)cc1
Show InChI InChI=1S/C24H33N3O5/c1-24(2,3)32-23(30)27-19(14-16-8-6-5-7-9-16)21(28)20(22(25)29)26-15-17-10-12-18(31-4)13-11-17/h5-13,19-21,26,28H,14-15H2,1-4H3,(H2,25,29)(H,27,30)/t19-,20+,21+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.57E+3n/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