BindingDB logo
myBDB logout

PubMed code 17696512

Compile data set for download or QSAR
Found 50 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
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D]


(Human immunodeficiency virus type 1)		BDBM13934
PNG
(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 0.00900n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]


(Human immunodeficiency virus type 1)		BDBM13934
PNG
(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 0.330n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D]


(Human immunodeficiency virus type 1)		BDBM520
PNG
(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)
Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r|
Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
MMDB
PDB
Article
PubMed
 0.460n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M]


(Human immunodeficiency virus type 1)		BDBM13934
PNG
(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 0.490n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17828
PNG
((2S)-2-acetamido-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C35H42N4O6/c1-23(2)32(36-24(3)40)34(43)37-27(19-25-13-7-4-8-14-25)21-30(41)29(20-26-15-9-5-10-16-26)38-33(42)31-22-39(35(44)45-31)28-17-11-6-12-18-28/h4-18,23,27,29-32,41H,19-22H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t27-,29-,30-,31-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.850 -52.6n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17831
PNG
((2S)-2-acetamido-N-[(2S,4S,5S)-5-{[(5S)-3-(3-acety...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C37H44N4O7/c1-23(2)34(38-25(4)43)36(46)39-29(18-26-12-7-5-8-13-26)21-32(44)31(19-27-14-9-6-10-15-27)40-35(45)33-22-41(37(47)48-33)30-17-11-16-28(20-30)24(3)42/h5-17,20,23,29,31-34,44H,18-19,21-22H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t29-,31-,32-,33-,34-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
PDB
Article
PubMed
 0.980 -52.3n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D]


(Human immunodeficiency virus type 1)		BDBM519
PNG
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 1.03n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D]


(Human immunodeficiency virus type 1)		BDBM17831
PNG
((2S)-2-acetamido-N-[(2S,4S,5S)-5-{[(5S)-3-(3-acety...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C37H44N4O7/c1-23(2)34(38-25(4)43)36(46)39-29(18-26-12-7-5-8-13-26)21-32(44)31(19-27-14-9-6-10-15-27)40-35(45)33-22-41(37(47)48-33)30-17-11-16-28(20-30)24(3)42/h5-17,20,23,29,31-34,44H,18-19,21-22H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t29-,31-,32-,33-,34-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
PDB
Article
PubMed
 1.67n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17832
PNG
((2S)-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-2-oxo-3-phen...)
Show SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C37H45N5O6/c1-25(2)33(41-20-12-19-38-36(41)46)35(45)39-28(21-26-13-6-3-7-14-26)23-31(43)30(22-27-15-8-4-9-16-27)40-34(44)32-24-42(37(47)48-32)29-17-10-5-11-18-29/h3-11,13-18,25,28,30-33,43H,12,19-24H2,1-2H3,(H,38,46)(H,39,45)(H,40,44)/t28-,30-,31-,32-,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
PDB
Article
PubMed
 2.04 -50.4n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17829
PNG
((2S)-N-[(2S,4S,5S)-5-{[(5S)-3-(3,4-difluorophenyl)...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1)Cc1ccccc1 |r|
Show InChI InChI=1S/C35H40F2N4O6/c1-21(2)32(38-22(3)42)34(45)39-25(16-23-10-6-4-7-11-23)18-30(43)29(17-24-12-8-5-9-13-24)40-33(44)31-20-41(35(46)47-31)26-14-15-27(36)28(37)19-26/h4-15,19,21,25,29-32,43H,16-18,20H2,1-3H3,(H,38,42)(H,39,45)(H,40,44)/t25-,29-,30-,31-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.13 -50.3n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17830
PNG
((2S)-2-acetamido-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F)Cc1ccccc1 |r|
Show InChI InChI=1S/C36H41F3N4O6/c1-22(2)32(40-23(3)44)34(47)41-27(17-24-11-6-4-7-12-24)20-30(45)29(18-25-13-8-5-9-14-25)42-33(46)31-21-43(35(48)49-31)28-16-10-15-26(19-28)36(37,38)39/h4-16,19,22,27,29-32,45H,17-18,20-21H2,1-3H3,(H,40,44)(H,41,47)(H,42,46)/t27-,29-,30-,31-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.62 -49.8n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M]


(Human immunodeficiency virus type 1)		BDBM520
PNG
(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)
Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r|
Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
MMDB
PDB
Article
PubMed
 2.81n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]


(Human immunodeficiency virus type 1)		BDBM520
PNG
(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)
Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r|
Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
MMDB
PDB
Article
PubMed
 3.02n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D]


(Human immunodeficiency virus type 1)		BDBM17828
PNG
((2S)-2-acetamido-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C35H42N4O6/c1-23(2)32(36-24(3)40)34(43)37-27(19-25-13-7-4-8-14-25)21-30(41)29(20-26-15-9-5-10-16-26)38-33(42)31-22-39(35(44)45-31)28-17-11-6-12-18-28/h4-18,23,27,29-32,41H,19-22H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t27-,29-,30-,31-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.10n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17833
PNG
(Hydroxyethylene Isostere-Based Compound, 15a | met...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C36H44N4O7/c1-36(2,3)31(39-34(44)46-4)33(43)37-26(20-24-14-8-5-9-15-24)22-29(41)28(21-25-16-10-6-11-17-25)38-32(42)30-23-40(35(45)47-30)27-18-12-7-13-19-27/h5-19,26,28-31,41H,20-23H2,1-4H3,(H,37,43)(H,38,42)(H,39,44)/t26-,28-,29-,30-,31+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.51 -49.1n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D]


(Human immunodeficiency virus type 1)		BDBM17829
PNG
((2S)-N-[(2S,4S,5S)-5-{[(5S)-3-(3,4-difluorophenyl)...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1)Cc1ccccc1 |r|
Show InChI InChI=1S/C35H40F2N4O6/c1-21(2)32(38-22(3)42)34(45)39-25(16-23-10-6-4-7-11-23)18-30(43)29(17-24-12-8-5-9-13-24)40-33(44)31-20-41(35(46)47-31)26-14-15-27(36)28(37)19-26/h4-15,19,21,25,29-32,43H,16-18,20H2,1-3H3,(H,38,42)(H,39,45)(H,40,44)/t25-,29-,30-,31-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.90n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17843
PNG
((Hydroxyethyl)hydrazine Isostere-Based Compound, 3...)
Show SMILES COC(=O)N[C@H](C(=O)NN(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C32H45N5O7/c1-21(2)18-36(35-29(40)27(32(3,4)5)34-30(41)43-6)19-25(38)24(17-22-13-9-7-10-14-22)33-28(39)26-20-37(31(42)44-26)23-15-11-8-12-16-23/h7-16,21,24-27,38H,17-20H2,1-6H3,(H,33,39)(H,34,41)(H,35,40)/t24-,25-,26-,27+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 7 -47.3n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17838
PNG
(2-(2,6-dimethylphenoxy)-N-[(2S,3S,5S)-3-hydroxy-5-...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r|
Show InChI InChI=1S/C38H41N3O6/c1-26-13-12-14-27(2)36(26)46-25-35(43)40-32(22-29-17-8-4-9-18-29)33(42)23-30(21-28-15-6-3-7-16-28)39-37(44)34-24-41(38(45)47-34)31-19-10-5-11-20-31/h3-20,30,32-34,42H,21-25H2,1-2H3,(H,39,44)(H,40,43)/t30-,32-,33-,34-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 7.28 -47.2n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17834
PNG
(2-(2,6-dimethylphenoxy)-N-[(2S,4S,5S)-4-hydroxy-5-...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C38H41N3O6/c1-26-13-12-14-27(2)36(26)46-25-35(43)39-30(21-28-15-6-3-7-16-28)23-33(42)32(22-29-17-8-4-9-18-29)40-37(44)34-24-41(38(45)47-34)31-19-10-5-11-20-31/h3-20,30,32-34,42H,21-25H2,1-2H3,(H,39,43)(H,40,44)/t30-,32-,33-,34-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8.05 -47.0n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17844
PNG
((Hydroxyethyl)hydrazine Isostere-Based Compound, 3...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC(C)C)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C32H45N5O7/c1-21(2)18-36(35-28(39)26-20-37(31(42)44-26)23-15-11-8-12-16-23)19-25(38)24(17-22-13-9-7-10-14-22)33-29(40)27(32(3,4)5)34-30(41)43-6/h7-16,21,24-27,38H,17-20H2,1-6H3,(H,33,40)(H,34,41)(H,35,39)/t24-,25-,26-,27+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 10.6 -46.3n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D]


(Human immunodeficiency virus type 1)		BDBM17832
PNG
((2S)-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-2-oxo-3-phen...)
Show SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C37H45N5O6/c1-25(2)33(41-20-12-19-38-36(41)46)35(45)39-28(21-26-13-6-3-7-14-26)23-31(43)30(22-27-15-8-4-9-16-27)40-34(44)32-24-42(37(47)48-32)29-17-10-5-11-18-29/h3-11,13-18,25,28,30-33,43H,12,19-24H2,1-2H3,(H,38,46)(H,39,45)(H,40,44)/t28-,30-,31-,32-,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
PDB
Article
PubMed
 13.9n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D]


(Human immunodeficiency virus type 1)		BDBM17833
PNG
(Hydroxyethylene Isostere-Based Compound, 15a | met...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C36H44N4O7/c1-36(2,3)31(39-34(44)46-4)33(43)37-26(20-24-14-8-5-9-15-24)22-29(41)28(21-25-16-10-6-11-17-25)38-32(42)30-23-40(35(45)47-30)27-18-12-7-13-19-27/h5-19,26,28-31,41H,20-23H2,1-4H3,(H,37,43)(H,38,42)(H,39,44)/t26-,28-,29-,30-,31+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 14n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D]


(Human immunodeficiency virus type 1)		BDBM17838
PNG
(2-(2,6-dimethylphenoxy)-N-[(2S,3S,5S)-3-hydroxy-5-...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r|
Show InChI InChI=1S/C38H41N3O6/c1-26-13-12-14-27(2)36(26)46-25-35(43)40-32(22-29-17-8-4-9-18-29)33(42)23-30(21-28-15-6-3-7-16-28)39-37(44)34-24-41(38(45)47-34)31-19-10-5-11-20-31/h3-20,30,32-34,42H,21-25H2,1-2H3,(H,39,44)(H,40,43)/t30-,32-,33-,34-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 18.3n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17839
PNG
(2-(2,6-dimethylphenoxy)-N-[(2S,3S,5S)-3-hydroxy-5-...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C39H40F3N3O6/c1-25-11-9-12-26(2)36(25)50-24-35(47)44-32(20-28-15-7-4-8-16-28)33(46)22-30(19-27-13-5-3-6-14-27)43-37(48)34-23-45(38(49)51-34)31-18-10-17-29(21-31)39(40,41)42/h3-18,21,30,32-34,46H,19-20,22-24H2,1-2H3,(H,43,48)(H,44,47)/t30-,32-,33-,34-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 21.6 -44.5n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17835
PNG
(2-(2,6-dimethylphenoxy)-N-[(2S,4S,5S)-5-{[(5S)-3-(...)
Show SMILES CC(=O)c1cccc(c1)N1C[C@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C |r|
Show InChI InChI=1S/C40H43N3O7/c1-26-12-10-13-27(2)38(26)49-25-37(46)41-32(20-29-14-6-4-7-15-29)23-35(45)34(21-30-16-8-5-9-17-30)42-39(47)36-24-43(40(48)50-36)33-19-11-18-31(22-33)28(3)44/h4-19,22,32,34-36,45H,20-21,23-25H2,1-3H3,(H,41,46)(H,42,47)/t32-,34-,35-,36-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 35.1 -43.3n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D]


(Human immunodeficiency virus type 1)		BDBM17843
PNG
((Hydroxyethyl)hydrazine Isostere-Based Compound, 3...)
Show SMILES COC(=O)N[C@H](C(=O)NN(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C32H45N5O7/c1-21(2)18-36(35-29(40)27(32(3,4)5)34-30(41)43-6)19-25(38)24(17-22-13-9-7-10-14-22)33-28(39)26-20-37(31(42)44-26)23-15-11-8-12-16-23/h7-16,21,24-27,38H,17-20H2,1-6H3,(H,33,39)(H,34,41)(H,35,40)/t24-,25-,26-,27+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 39.2n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17836
PNG
(2-(2,6-dimethylphenoxy)-N-[(2S,4S,5S)-5-{[(5S)-3-(...)
Show SMILES CC(=O)c1ccc(cc1)N1C[C@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C |r|
Show InChI InChI=1S/C40H43N3O7/c1-26-11-10-12-27(2)38(26)49-25-37(46)41-32(21-29-13-6-4-7-14-29)23-35(45)34(22-30-15-8-5-9-16-30)42-39(47)36-24-43(40(48)50-36)33-19-17-31(18-20-33)28(3)44/h4-20,32,34-36,45H,21-25H2,1-3H3,(H,41,46)(H,42,47)/t32-,34-,35-,36-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 39.9 -42.9n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17842
PNG
(Hydroxyethylene Isostere-Based Compound, 25d | pyr...)
Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 |r|
Show InChI InChI=1S/C36H35F3N4O6/c37-36(38,39)27-14-7-15-29(19-27)43-22-32(49-35(43)47)33(45)41-28(17-24-9-3-1-4-10-24)20-31(44)30(18-25-11-5-2-6-12-25)42-34(46)48-23-26-13-8-16-40-21-26/h1-16,19,21,28,30-32,44H,17-18,20,22-23H2,(H,41,45)(H,42,46)/t28-,30-,31-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 41.1 -42.9n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]


(Human immunodeficiency virus type 1)		BDBM17828
PNG
((2S)-2-acetamido-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C35H42N4O6/c1-23(2)32(36-24(3)40)34(43)37-27(19-25-13-7-4-8-14-25)21-30(41)29(20-26-15-9-5-10-16-26)38-33(42)31-22-39(35(44)45-31)28-17-11-6-12-18-28/h4-18,23,27,29-32,41H,19-22H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t27-,29-,30-,31-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 51.2n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M]


(Human immunodeficiency virus type 1)		BDBM519
PNG
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 78.4n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]


(Human immunodeficiency virus type 1)		BDBM17831
PNG
((2S)-2-acetamido-N-[(2S,4S,5S)-5-{[(5S)-3-(3-acety...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C37H44N4O7/c1-23(2)34(38-25(4)43)36(46)39-29(18-26-12-7-5-8-13-26)21-32(44)31(19-27-14-9-6-10-15-27)40-35(45)33-22-41(37(47)48-33)30-17-11-16-28(20-30)24(3)42/h5-17,20,23,29,31-34,44H,18-19,21-22H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t29-,31-,32-,33-,34-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
PDB
Article
PubMed
 82.3n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]


(Human immunodeficiency virus type 1)		BDBM519
PNG
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 89.5n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M]


(Human immunodeficiency virus type 1)		BDBM17828
PNG
((2S)-2-acetamido-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C35H42N4O6/c1-23(2)32(36-24(3)40)34(43)37-27(19-25-13-7-4-8-14-25)21-30(41)29(20-26-15-9-5-10-16-26)38-33(42)31-22-39(35(44)45-31)28-17-11-6-12-18-28/h4-18,23,27,29-32,41H,19-22H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t27-,29-,30-,31-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 112n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M]


(Human immunodeficiency virus type 1)		BDBM17831
PNG
((2S)-2-acetamido-N-[(2S,4S,5S)-5-{[(5S)-3-(3-acety...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C37H44N4O7/c1-23(2)34(38-25(4)43)36(46)39-29(18-26-12-7-5-8-13-26)21-32(44)31(19-27-14-9-6-10-15-27)40-35(45)33-22-41(37(47)48-33)30-17-11-16-28(20-30)24(3)42/h5-17,20,23,29,31-34,44H,18-19,21-22H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t29-,31-,32-,33-,34-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
PDB
Article
PubMed
 122n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]


(Human immunodeficiency virus type 1)		BDBM17833
PNG
(Hydroxyethylene Isostere-Based Compound, 15a | met...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C36H44N4O7/c1-36(2,3)31(39-34(44)46-4)33(43)37-26(20-24-14-8-5-9-15-24)22-29(41)28(21-25-16-10-6-11-17-25)38-32(42)30-23-40(35(45)47-30)27-18-12-7-13-19-27/h5-19,26,28-31,41H,20-23H2,1-4H3,(H,37,43)(H,38,42)(H,39,44)/t26-,28-,29-,30-,31+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 131n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17827
PNG
((2S)-2-acetamido-N-[(2S,4S,5S)-4-hydroxy-5-{[(5R)-...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C35H42N4O6/c1-23(2)32(36-24(3)40)34(43)37-27(19-25-13-7-4-8-14-25)21-30(41)29(20-26-15-9-5-10-16-26)38-33(42)31-22-39(35(44)45-31)28-17-11-6-12-18-28/h4-18,23,27,29-32,41H,19-22H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t27-,29-,30-,31+,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 131 -39.9n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]


(Human immunodeficiency virus type 1)		BDBM17829
PNG
((2S)-N-[(2S,4S,5S)-5-{[(5S)-3-(3,4-difluorophenyl)...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1)Cc1ccccc1 |r|
Show InChI InChI=1S/C35H40F2N4O6/c1-21(2)32(38-22(3)42)34(45)39-25(16-23-10-6-4-7-11-23)18-30(43)29(17-24-12-8-5-9-13-24)40-33(44)31-20-41(35(46)47-31)26-14-15-27(36)28(37)19-26/h4-15,19,21,25,29-32,43H,16-18,20H2,1-3H3,(H,38,42)(H,39,45)(H,40,44)/t25-,29-,30-,31-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 168n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]


(Human immunodeficiency virus type 1)		BDBM17832
PNG
((2S)-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-2-oxo-3-phen...)
Show SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C37H45N5O6/c1-25(2)33(41-20-12-19-38-36(41)46)35(45)39-28(21-26-13-6-3-7-14-26)23-31(43)30(22-27-15-8-4-9-16-27)40-34(44)32-24-42(37(47)48-32)29-17-10-5-11-18-29/h3-11,13-18,25,28,30-33,43H,12,19-24H2,1-2H3,(H,38,46)(H,39,45)(H,40,44)/t28-,30-,31-,32-,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
PDB
Article
PubMed
 175n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M]


(Human immunodeficiency virus type 1)		BDBM17832
PNG
((2S)-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-2-oxo-3-phen...)
Show SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C37H45N5O6/c1-25(2)33(41-20-12-19-38-36(41)46)35(45)39-28(21-26-13-6-3-7-14-26)23-31(43)30(22-27-15-8-4-9-16-27)40-34(44)32-24-42(37(47)48-32)29-17-10-5-11-18-29/h3-11,13-18,25,28,30-33,43H,12,19-24H2,1-2H3,(H,38,46)(H,39,45)(H,40,44)/t28-,30-,31-,32-,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
PDB
Article
PubMed
 185n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]


(Human immunodeficiency virus type 1)		BDBM17843
PNG
((Hydroxyethyl)hydrazine Isostere-Based Compound, 3...)
Show SMILES COC(=O)N[C@H](C(=O)NN(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C32H45N5O7/c1-21(2)18-36(35-29(40)27(32(3,4)5)34-30(41)43-6)19-25(38)24(17-22-13-9-7-10-14-22)33-28(39)26-20-37(31(42)44-26)23-15-11-8-12-16-23/h7-16,21,24-27,38H,17-20H2,1-6H3,(H,33,39)(H,34,41)(H,35,40)/t24-,25-,26-,27+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 231n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M]


(Human immunodeficiency virus type 1)		BDBM17829
PNG
((2S)-N-[(2S,4S,5S)-5-{[(5S)-3-(3,4-difluorophenyl)...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1)Cc1ccccc1 |r|
Show InChI InChI=1S/C35H40F2N4O6/c1-21(2)32(38-22(3)42)34(45)39-25(16-23-10-6-4-7-11-23)18-30(43)29(17-24-12-8-5-9-13-24)40-33(44)31-20-41(35(46)47-31)26-14-15-27(36)28(37)19-26/h4-15,19,21,25,29-32,43H,16-18,20H2,1-3H3,(H,38,42)(H,39,45)(H,40,44)/t25-,29-,30-,31-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 282n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17845
PNG
((5S)-N-[(2S,3S)-3-hydroxy-4-{[(5S)-2-oxo-3-phenyl-...)
Show SMILES O[C@@H](CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r|
Show InChI InChI=1S/C42H40N6O7/c49-36(35(24-29-12-4-1-5-13-29)44-39(50)37-27-47(41(52)54-37)32-14-6-2-7-15-32)26-46(25-30-19-21-31(22-20-30)34-18-10-11-23-43-34)45-40(51)38-28-48(42(53)55-38)33-16-8-3-9-17-33/h1-23,35-38,49H,24-28H2,(H,44,50)(H,45,51)/t35-,36-,37-,38-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 300 -37.9n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]


(Human immunodeficiency virus type 1)		BDBM17838
PNG
(2-(2,6-dimethylphenoxy)-N-[(2S,3S,5S)-3-hydroxy-5-...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r|
Show InChI InChI=1S/C38H41N3O6/c1-26-13-12-14-27(2)36(26)46-25-35(43)40-32(22-29-17-8-4-9-18-29)33(42)23-30(21-28-15-6-3-7-16-28)39-37(44)34-24-41(38(45)47-34)31-19-10-5-11-20-31/h3-20,30,32-34,42H,21-25H2,1-2H3,(H,39,44)(H,40,43)/t30-,32-,33-,34-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 364n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M]


(Human immunodeficiency virus type 1)		BDBM17833
PNG
(Hydroxyethylene Isostere-Based Compound, 15a | met...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C36H44N4O7/c1-36(2,3)31(39-34(44)46-4)33(43)37-26(20-24-14-8-5-9-15-24)22-29(41)28(21-25-16-10-6-11-17-25)38-32(42)30-23-40(35(45)47-30)27-18-12-7-13-19-27/h5-19,26,28-31,41H,20-23H2,1-4H3,(H,37,43)(H,38,42)(H,39,44)/t26-,28-,29-,30-,31+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 392n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M]


(Human immunodeficiency virus type 1)		BDBM17838
PNG
(2-(2,6-dimethylphenoxy)-N-[(2S,3S,5S)-3-hydroxy-5-...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r|
Show InChI InChI=1S/C38H41N3O6/c1-26-13-12-14-27(2)36(26)46-25-35(43)40-32(22-29-17-8-4-9-18-29)33(42)23-30(21-28-15-6-3-7-16-28)39-37(44)34-24-41(38(45)47-34)31-19-10-5-11-20-31/h3-20,30,32-34,42H,21-25H2,1-2H3,(H,39,44)(H,40,43)/t30-,32-,33-,34-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 447n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M]


(Human immunodeficiency virus type 1)		BDBM17843
PNG
((Hydroxyethyl)hydrazine Isostere-Based Compound, 3...)
Show SMILES COC(=O)N[C@H](C(=O)NN(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C32H45N5O7/c1-21(2)18-36(35-29(40)27(32(3,4)5)34-30(41)43-6)19-25(38)24(17-22-13-9-7-10-14-22)33-28(39)26-20-37(31(42)44-26)23-15-11-8-12-16-23/h7-16,21,24-27,38H,17-20H2,1-6H3,(H,33,39)(H,34,41)(H,35,40)/t24-,25-,26-,27+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 549n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17840
PNG
(2-(2H-1,3-benzodioxol-5-yl)-N-[(2S,3S,5S)-3-hydrox...)
Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C37H37N3O7/c41-31(30(19-26-12-6-2-7-13-26)39-35(42)21-27-16-17-32-33(20-27)46-24-45-32)22-28(18-25-10-4-1-5-11-25)38-36(43)34-23-40(37(44)47-34)29-14-8-3-9-15-29/h1-17,20,28,30-31,34,41H,18-19,21-24H2,(H,38,43)(H,39,42)/t28-,30-,31-,34-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 657 -35.9n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17846
PNG
((5S)-3-(3-acetylphenyl)-N-[(2S,3S)-4-{[(5S)-3-(3-a...)
Show SMILES CC(=O)c1cccc(c1)N1C[C@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O |r|
Show InChI InChI=1S/C46H44N6O9/c1-29(53)34-12-8-14-36(23-34)51-27-41(60-45(51)58)43(56)48-39(22-31-10-4-3-5-11-31)40(55)26-50(25-32-17-19-33(20-18-32)38-16-6-7-21-47-38)49-44(57)42-28-52(46(59)61-42)37-15-9-13-35(24-37)30(2)54/h3-21,23-24,39-42,55H,22,25-28H2,1-2H3,(H,48,56)(H,49,57)/t39-,40-,41-,42-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.09E+3 -34.6n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17841
PNG
((3S)-oxolan-3-yl N-[(2S,3S,5S)-3-hydroxy-5-{[(5R)-...)
Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)O1)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C33H37N3O7/c37-29(28(19-24-12-6-2-7-13-24)35-32(39)42-27-16-17-41-22-27)20-25(18-23-10-4-1-5-11-23)34-31(38)30-21-36(33(40)43-30)26-14-8-3-9-15-26/h1-15,25,27-30,37H,16-22H2,(H,34,38)(H,35,39)/t25-,27-,28-,29-,30+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.80E+3 -33.3n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K]


(Human immunodeficiency virus type 1)		BDBM17837
PNG
(2-(2,6-dimethylphenoxy)-N-[(2S,3S,5S)-3-hydroxy-5-...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)O1)c1ccccc1 |r|
Show InChI InChI=1S/C38H41N3O6/c1-26-13-12-14-27(2)36(26)46-25-35(43)40-32(22-29-17-8-4-9-18-29)33(42)23-30(21-28-15-6-3-7-16-28)39-37(44)34-24-41(38(45)47-34)31-19-10-5-11-20-31/h3-20,30,32-34,42H,21-25H2,1-2H3,(H,39,44)(H,40,43)/t30-,32-,33-,34+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.73E+3 -30.9n/an/an/an/an/a4.730



University of Massachusetts Medical School



Assay Description
HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...

J Med Chem 50: 4316-28 (2007)


Article DOI: 10.1021/jm070284z
BindingDB Entry DOI: 10.7270/Q2W37TKX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%