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24 similar compounds to monomer 104107

Compile data set for download or QSAR
Wt: 631.8
BDBM795
Wt: 760.9
BDBM797
Wt: 645.8
BDBM798
Wt: 687.8
BDBM800
Wt: 732.9
BDBM801
Wt: 588.7
BDBM13928
Wt: 573.7
BDBM13929
Wt: 583.7
BDBM50073369
Wt: 515.6
BDBM50073370
Wt: 616.8
BDBM50092151
Wt: 651.8
BDBM50142965
Wt: 680.8
BDBM50142966
Wt: 660.8
BDBM50142971
Wt: 650.8
BDBM50142973
Wt: 602.7
BDBM50142974
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 795,797,798,800,801,13928,13929,50073369,50073370,50092151,50142965,50142966,50142971,50142973,50142974   
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)
BDBM798
PNG
((2R)-2-[(7S,10S,13S)-7-amino-10-butyl-8,11-dioxo-2...)
Show SMILES CCCC[C@@H]1NC(=O)[C@@H](N)CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)cc2
Show InChI InChI=1/C33H51N5O6S/c1-4-5-9-29-33(41)37-30(21-24-10-14-26(15-11-24)44-20-7-6-8-28(35)32(40)36-29)31(39)22-38(19-18-23(2)3)45(42,43)27-16-12-25(34)13-17-27/h10-17,23,28-31,39H,4-9,18-22,34-35H2,1-3H3,(H,36,40)(H,37,41)/t28-,29-,30-,31+/s2
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0.310 -13.5n/an/an/an/an/a6.537



University of Queensland



Assay Description
Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...


J Med Chem 45: 371-81 (2002)


Article DOI: 10.1021/jm010414i
BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM797
PNG
((2S)-N-[(7S,10S,13S)-13-[(1R)-2-[(4-aminobenzene)(...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1/C37H56N6O9S/c1-23(2)17-18-43(53(50,51)29-15-11-27(38)12-16-29)21-33(46)31-20-26-9-13-28(14-10-26)52-19-7-6-8-30(40-36(48)32(22-44)39-25(5)45)35(47)42-34(24(3)4)37(49)41-31/h9-16,23-24,30-34,44,46H,6-8,17-22,38H2,1-5H3,(H,39,45)(H,40,48)(H,41,49)(H,42,47)/t30-,31-,32-,33+,34-/s2
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0.340 -13.4n/an/an/an/an/a6.537



University of Queensland



Assay Description
Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...


J Med Chem 45: 371-81 (2002)


Article DOI: 10.1021/jm010414i
BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM13928
PNG
(2-[(8S,11S)-11-[(1R)-2-[benzene(3-methylbutyl)sulf...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C29H40N4O7S/c1-20(2)14-15-33(41(38,39)23-7-4-3-5-8-23)19-26(34)24-17-21-10-12-22(13-11-21)40-16-6-9-28(36)31-25(18-27(30)35)29(37)32-24/h3-5,7-8,10-13,20,24-26,34H,6,9,14-19H2,1-2H3,(H2,30,35)(H,31,36)(H,32,37)/t24-,25-,26+/s2
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0.600 -13.1n/an/an/an/an/a6.537



University of Queensland



Assay Description
he Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fl...


Biochemistry 38: 7978-88 (1999)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q20000B3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM795
PNG
((2R)-2-[(7S,10S,13S)-7-amino-8,11-dioxo-10-(propan...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1/C32H49N5O6S/c1-21(2)16-17-37(44(41,42)26-14-10-24(33)11-15-26)20-29(38)28-19-23-8-12-25(13-9-23)43-18-6-5-7-27(34)31(39)36-30(22(3)4)32(40)35-28/h8-15,21-22,27-30,38H,5-7,16-20,33-34H2,1-4H3,(H,35,40)(H,36,39)/t27-,28-,29+,30-/s2
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0.900 -12.8n/an/an/an/an/a6.537



University of Queensland



Assay Description
Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...


J Med Chem 45: 371-81 (2002)


Article DOI: 10.1021/jm010414i
BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50142965
PNG
(CHEMBL296937 | Naphthalene-2-sulfonic acid [(S)-2-...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C36H49N3O6S/c1-25(2)19-20-39(46(43,44)31-18-15-28-10-7-8-11-29(28)23-31)24-33(40)32-22-27-13-16-30(17-14-27)45-21-9-5-6-12-34(41)38-35(26(3)4)36(42)37-32/h7-8,10-11,13-18,23,25-26,32-33,35,40H,5-6,9,12,19-22,24H2,1-4H3,(H,37,42)(H,38,41)/t32-,33+,35-/m0/s1
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1n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Tested for inhibition of synthetic HIV-1 protease by using fluorometric assay


J Med Chem 47: 1641-51 (2004)


Article DOI: 10.1021/jm030337m
BindingDB Entry DOI: 10.7270/Q2JD4XJK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50092151
PNG
((10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENES...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C32H48N4O6S/c1-22(2)17-18-36(43(40,41)27-15-11-25(33)12-16-27)21-29(37)28-20-24-9-13-26(14-10-24)42-19-7-5-6-8-30(38)35-31(23(3)4)32(39)34-28/h9-16,22-23,28-29,31,37H,5-8,17-21,33H2,1-4H3,(H,34,39)(H,35,38)/t28-,29+,31-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Tested for inhibition of synthetic HIV-1 protease by using fluorometric assay


J Med Chem 47: 1641-51 (2004)


Article DOI: 10.1021/jm030337m
BindingDB Entry DOI: 10.7270/Q2JD4XJK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50092151
PNG
((10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENES...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C32H48N4O6S/c1-22(2)17-18-36(43(40,41)27-15-11-25(33)12-16-27)21-29(37)28-20-24-9-13-26(14-10-24)42-19-7-5-6-8-30(38)35-31(23(3)4)32(39)34-28/h9-16,22-23,28-29,31,37H,5-8,17-21,33H2,1-4H3,(H,34,39)(H,35,38)/t28-,29+,31-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory constant against HIV-1 protease


J Med Chem 43: 3495-504 (2000)


Article DOI: 10.1021/jm000013n
BindingDB Entry DOI: 10.7270/Q2KH0P1S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50142974
PNG
(4-Amino-N-sec-butyl-N-[(S)-2-(R)-hydroxy-2-((S)-10...)
Show SMILES CCC(C)N(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C31H46N4O6S/c1-5-22(4)35(42(39,40)26-16-12-24(32)13-17-26)20-28(36)27-19-23-10-14-25(15-11-23)41-18-8-6-7-9-29(37)34-30(21(2)3)31(38)33-27/h10-17,21-22,27-28,30,36H,5-9,18-20,32H2,1-4H3,(H,33,38)(H,34,37)/t22?,27-,28+,30-/m0/s1
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2n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Tested for inhibition of synthetic HIV-1 protease by using fluorometric assay


J Med Chem 47: 1641-51 (2004)


Article DOI: 10.1021/jm030337m
BindingDB Entry DOI: 10.7270/Q2JD4XJK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM800
PNG
(Macrocycle-containing Compound 9f | N-[(7S,10S,13S...)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)cc2)NC(C)=O
Show InChI InChI=1/C35H53N5O7S/c1-5-6-9-31-35(44)39-32(33(42)23-40(20-19-24(2)3)48(45,46)29-17-13-27(36)14-18-29)22-26-11-15-28(16-12-26)47-21-8-7-10-30(34(43)38-31)37-25(4)41/h11-18,24,30-33,42H,5-10,19-23,36H2,1-4H3,(H,37,41)(H,38,43)(H,39,44)/t30-,31-,32-,33+/s2
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2.80 -12.1n/an/an/an/an/a6.537



University of Queensland



Assay Description
Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...


J Med Chem 45: 371-81 (2002)


Article DOI: 10.1021/jm010414i
BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM801
PNG
((2S)-2-amino-N-[(7S,10S,13S)-13-[(1R)-2-[(4-aminob...)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)cc2)NC(=O)[C@@H](N)CO
Show InChI InChI=1/C36H56N6O8S/c1-4-5-8-30-36(47)41-32(33(44)22-42(19-18-24(2)3)51(48,49)28-16-12-26(37)13-17-28)21-25-10-14-27(15-11-25)50-20-7-6-9-31(35(46)40-30)39-34(45)29(38)23-43/h10-17,24,29-33,43-44H,4-9,18-23,37-38H2,1-3H3,(H,39,45)(H,40,46)(H,41,47)/t29-,30-,31-,32-,33+/s2
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3 -12.1n/an/an/an/an/a6.537



University of Queensland



Assay Description
Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...


J Med Chem 45: 371-81 (2002)


Article DOI: 10.1021/jm010414i
BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50142966
PNG
(4-Amino-N-[(S)-2-(R)-hydroxy-2-((S)-10-isopropyl-8...)
Show SMILES COc1ccc(CCN(C[C@@H](O)[C@@H]2Cc3ccc(OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N2)cc3)S(=O)(=O)c2ccc(N)cc2)cc1
Show InChI InChI=1S/C36H48N4O7S/c1-25(2)35-36(43)38-32(23-27-10-16-30(17-11-27)47-22-6-4-5-7-34(42)39-35)33(41)24-40(21-20-26-8-14-29(46-3)15-9-26)48(44,45)31-18-12-28(37)13-19-31/h8-19,25,32-33,35,41H,4-7,20-24,37H2,1-3H3,(H,38,43)(H,39,42)/t32-,33+,35-/m0/s1
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3n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Tested for inhibition of synthetic HIV-1 protease by using fluorometric assay


J Med Chem 47: 1641-51 (2004)


Article DOI: 10.1021/jm030337m
BindingDB Entry DOI: 10.7270/Q2JD4XJK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM13929
PNG
((2R)-2-[(8S,11S)-6,9-dioxo-8-(propan-2-yl)-2-oxa-7...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C30H43N3O6S/c1-21(2)16-17-33(40(37,38)25-9-6-5-7-10-25)20-27(34)26-19-23-12-14-24(15-13-23)39-18-8-11-28(35)32-29(22(3)4)30(36)31-26/h5-7,9-10,12-15,21-22,26-27,29,34H,8,11,16-20H2,1-4H3,(H,31,36)(H,32,35)/t26-,27+,29-/s2
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4 -11.9n/an/an/an/an/a6.537



University of Queensland



Assay Description
he Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fl...


Biochemistry 38: 7978-88 (1999)


Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q20000B3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM13929
PNG
((2R)-2-[(8S,11S)-6,9-dioxo-8-(propan-2-yl)-2-oxa-7...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C30H43N3O6S/c1-21(2)16-17-33(40(37,38)25-9-6-5-7-10-25)20-27(34)26-19-23-12-14-24(15-13-23)39-18-8-11-28(35)32-29(22(3)4)30(36)31-26/h5-7,9-10,12-15,21-22,26-27,29,34H,8,11,16-20H2,1-4H3,(H,31,36)(H,32,35)/t26-,27+,29-/s2
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4n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Tested for inhibition of synthetic HIV-1 protease by using fluorometric assay


J Med Chem 47: 1641-51 (2004)


Article DOI: 10.1021/jm030337m
BindingDB Entry DOI: 10.7270/Q2JD4XJK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50142973
PNG
(4-Amino-N-[(S)-2-(R)-hydroxy-2-((S)-10-isopropyl-8...)
Show SMILES CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(N)cc1)cc2
Show InChI InChI=1S/C35H46N4O6S/c1-25(2)34-35(42)37-31(23-27-12-16-29(17-13-27)45-22-8-4-7-11-33(41)38-34)32(40)24-39(21-20-26-9-5-3-6-10-26)46(43,44)30-18-14-28(36)15-19-30/h3,5-6,9-10,12-19,25,31-32,34,40H,4,7-8,11,20-24,36H2,1-2H3,(H,37,42)(H,38,41)/t31-,32+,34-/m0/s1
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8n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Tested for inhibition of synthetic HIV-1 protease by using fluorometric assay


J Med Chem 47: 1641-51 (2004)


Article DOI: 10.1021/jm030337m
BindingDB Entry DOI: 10.7270/Q2JD4XJK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50073369
PNG
(CHEMBL433187 | N-[(S)-3-((S)-3-Benzyl-5-oxo-1,4-di...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CNC2(CCCCC2)C1=O)CC1CCCC1
Show InChI InChI=1S/C32H45N3O5S/c1-40-29-14-16-30(17-15-29)41(38,39)34(22-26-12-6-7-13-26)23-28(36)24-35-27(20-25-10-4-2-5-11-25)21-33-32(31(35)37)18-8-3-9-19-32/h2,4-5,10-11,14-17,26-28,33,36H,3,6-9,12-13,18-24H2,1H3/t27-,28+/m0/s1
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17n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound was assayed for inhibition against HIV protease activity


Bioorg Med Chem Lett 8: 3637-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00670-2
BindingDB Entry DOI: 10.7270/Q2GM86FH
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50142971
PNG
(6-{(4-Amino-benzenesulfonyl)-[(S)-2-(R)-hydroxy-2-...)
Show SMILES CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCCCCC(O)=O)S(=O)(=O)c1ccc(N)cc1)cc2
Show InChI InChI=1S/C33H48N4O8S/c1-23(2)32-33(42)35-28(21-24-11-15-26(16-12-24)45-20-8-4-5-9-30(39)36-32)29(38)22-37(19-7-3-6-10-31(40)41)46(43,44)27-17-13-25(34)14-18-27/h11-18,23,28-29,32,38H,3-10,19-22,34H2,1-2H3,(H,35,42)(H,36,39)(H,40,41)/t28-,29+,32-/m0/s1
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60n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Tested for inhibition of synthetic HIV-1 protease by using fluorometric assay


J Med Chem 47: 1641-51 (2004)


Article DOI: 10.1021/jm030337m
BindingDB Entry DOI: 10.7270/Q2JD4XJK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50073370
PNG
(CHEMBL331441 | N-[(S)-3-((S)-2-Benzyl-6-oxo-pipera...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CNCC1=O)CC1CCCC1
Show InChI InChI=1S/C27H37N3O5S/c1-35-25-11-13-26(14-12-25)36(33,34)29(18-22-9-5-6-10-22)19-24(31)20-30-23(16-28-17-27(30)32)15-21-7-3-2-4-8-21/h2-4,7-8,11-14,22-24,28,31H,5-6,9-10,15-20H2,1H3/t23-,24+/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound was assayed for inhibition against HIV protease activity


Bioorg Med Chem Lett 8: 3637-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00670-2
BindingDB Entry DOI: 10.7270/Q2GM86FH
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50092151
PNG
((10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENES...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C32H48N4O6S/c1-22(2)17-18-36(43(40,41)27-15-11-25(33)12-16-27)21-29(37)28-20-24-9-13-26(14-10-24)42-19-7-5-6-8-30(38)35-31(23(3)4)32(39)34-28/h9-16,22-23,28-29,31,37H,5-8,17-21,33H2,1-4H3,(H,34,39)(H,35,38)/t28-,29+,31-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of virion associated RT activity relative to untreated, infected control in MT2 cells infected with HIV-2 strain (ROD)


J Med Chem 43: 3495-504 (2000)


Article DOI: 10.1021/jm000013n
BindingDB Entry DOI: 10.7270/Q2KH0P1S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50092151
PNG
((10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENES...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C32H48N4O6S/c1-22(2)17-18-36(43(40,41)27-15-11-25(33)12-16-27)21-29(37)28-20-24-9-13-26(14-10-24)42-19-7-5-6-8-30(38)35-31(23(3)4)32(39)34-28/h9-16,22-23,28-29,31,37H,5-8,17-21,33H2,1-4H3,(H,34,39)(H,35,38)/t28-,29+,31-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of virion associated RT activity relative to untreated, infected control in MT2 cells infected with HIV-1 237288 strain


J Med Chem 43: 3495-504 (2000)


Article DOI: 10.1021/jm000013n
BindingDB Entry DOI: 10.7270/Q2KH0P1S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50092151
PNG
((10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENES...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C32H48N4O6S/c1-22(2)17-18-36(43(40,41)27-15-11-25(33)12-16-27)21-29(37)28-20-24-9-13-26(14-10-24)42-19-7-5-6-8-30(38)35-31(23(3)4)32(39)34-28/h9-16,22-23,28-29,31,37H,5-8,17-21,33H2,1-4H3,(H,34,39)(H,35,38)/t28-,29+,31-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of virion associated RT activity relative to untreated, infected control in cord blood mononuclear cells (CBMC) infected with HIV -1 TC354...


J Med Chem 43: 3495-504 (2000)


Article DOI: 10.1021/jm000013n
BindingDB Entry DOI: 10.7270/Q2KH0P1S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50092151
PNG
((10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENES...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C32H48N4O6S/c1-22(2)17-18-36(43(40,41)27-15-11-25(33)12-16-27)21-29(37)28-20-24-9-13-26(14-10-24)42-19-7-5-6-8-30(38)35-31(23(3)4)32(39)34-28/h9-16,22-23,28-29,31,37H,5-8,17-21,33H2,1-4H3,(H,34,39)(H,35,38)/t28-,29+,31-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of virion associated RT activity relative to untreated, infected control in PBMC cells infected with HIV-1 237288 strain


J Med Chem 43: 3495-504 (2000)


Article DOI: 10.1021/jm000013n
BindingDB Entry DOI: 10.7270/Q2KH0P1S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)