Found 19 hits with Last Name = 'bujacz' and Initial = 'a' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
HIV-1 protease
(Human immunodeficiency virus) | BDBM86658
(3-Hexanol derivative, 4)Show SMILES CC(C)[C@H](N(C)C(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C36H48N4O6/c1-25(2)32(40(6)35(44)45-24-28-19-13-14-20-37-28)33(42)39-30(22-27-17-11-8-12-18-27)31(41)23-29(21-26-15-9-7-10-16-26)38-34(43)46-36(3,4)5/h7-20,25,29-32,41H,21-24H2,1-6H3,(H,38,43)(H,39,42)/t29-,30-,31-,32-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0210 | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Technical University of Lódz
| Assay Description
The Ki value were determine by a fluorometric assay with the fluorogenic and chromogenic substrate. |
Chem Biol Drug Des 79: 798-809 (2012)
Article DOI: 10.1111/j.1747-0285.2012.01328.x
BindingDB Entry DOI: 10.7270/Q25T3J23 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50073254
(Anthranilamide derivative | CHEMBL408110)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1 Show InChI InChI=1S/C46H44N6O8/c53-41(39(27-31-15-3-1-4-16-31)49-43(55)35-21-7-9-23-37(35)51-45(57)59-29-33-19-11-13-25-47-33)42(54)40(28-32-17-5-2-6-18-32)50-44(56)36-22-8-10-24-38(36)52-46(58)60-30-34-20-12-14-26-48-34/h1-26,39-42,53-54H,27-30H2,(H,49,55)(H,50,56)(H,51,57)(H,52,58)/t39-,40-,41-,42+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285701
(Anthranilamide derivative | CHEMBL313767)Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1 Show InChI InChI=1S/C46H44N6O7/c53-42(41(28-33-17-5-2-6-18-33)50-44(55)38-22-8-10-24-40(38)52-46(57)59-31-35-20-12-14-26-48-35)29-36(27-32-15-3-1-4-16-32)49-43(54)37-21-7-9-23-39(37)51-45(56)58-30-34-19-11-13-25-47-34/h1-26,36,41-42,53H,27-31H2,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t36-,41-,42-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285698
(Anthranilamide derivative | CHEMBL315500)Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1cccnc1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1cccnc1 Show InChI InChI=1S/C46H44N6O7/c53-42(41(26-33-15-5-2-6-16-33)50-44(55)38-20-8-10-22-40(38)52-46(57)59-31-35-18-12-24-48-29-35)27-36(25-32-13-3-1-4-14-32)49-43(54)37-19-7-9-21-39(37)51-45(56)58-30-34-17-11-23-47-28-34/h1-24,28-29,36,41-42,53H,25-27,30-31H2,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t36-,41-,42-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM86657
(3-Hexanol derivative, 3)Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC1CCOC1 |r| Show InChI InChI=1S/C31H36N2O6/c1-21-26(13-8-14-28(21)34)30(36)33-27(18-23-11-6-3-7-12-23)29(35)19-24(17-22-9-4-2-5-10-22)32-31(37)39-25-15-16-38-20-25/h2-14,24-25,27,29,34-35H,15-20H2,1H3,(H,32,37)(H,33,36)/t24-,25?,27-,29-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.320 | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Technical University of Lódz
| Assay Description
The Ki value were determine by a fluorometric assay with the fluorogenic and chromogenic substrate. |
Chem Biol Drug Des 79: 798-809 (2012)
Article DOI: 10.1111/j.1747-0285.2012.01328.x
BindingDB Entry DOI: 10.7270/Q25T3J23 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285700
(Anthranilamide derivative | CHEMBL315742)Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccncc1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccncc1 Show InChI InChI=1S/C46H44N6O7/c53-42(41(28-33-13-5-2-6-14-33)50-44(55)38-16-8-10-18-40(38)52-46(57)59-31-35-21-25-48-26-22-35)29-36(27-32-11-3-1-4-12-32)49-43(54)37-15-7-9-17-39(37)51-45(56)58-30-34-19-23-47-24-20-34/h1-26,36,41-42,53H,27-31H2,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t36-,41-,42-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285703
(Anthranilamide derivative | CHEMBL315928)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1ccccc1NC=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC=O Show InChI InChI=1S/C34H34N4O6/c39-21-35-27-17-9-7-15-25(27)33(43)37-29(19-23-11-3-1-4-12-23)31(41)32(42)30(20-24-13-5-2-6-14-24)38-34(44)26-16-8-10-18-28(26)36-22-40/h1-18,21-22,29-32,41-42H,19-20H2,(H,35,39)(H,36,40)(H,37,43)(H,38,44)/t29-,30-,31-,32+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285696
(Anthranilamide derivative | CHEMBL85640)Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1 Show InChI InChI=1S/C48H46N4O7/c53-44(43(30-35-19-7-2-8-20-35)50-46(55)40-26-14-16-28-42(40)52-48(57)59-33-37-23-11-4-12-24-37)31-38(29-34-17-5-1-6-18-34)49-45(54)39-25-13-15-27-41(39)51-47(56)58-32-36-21-9-3-10-22-36/h1-28,38,43-44,53H,29-33H2,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t38-,43-,44-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285691
(Anthranilamide derivative | CHEMBL264622)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1 Show InChI InChI=1S/C48H46N4O8/c53-43(41(29-33-17-5-1-6-18-33)49-45(55)37-25-13-15-27-39(37)51-47(57)59-31-35-21-9-3-10-22-35)44(54)42(30-34-19-7-2-8-20-34)50-46(56)38-26-14-16-28-40(38)52-48(58)60-32-36-23-11-4-12-24-36/h1-28,41-44,53-54H,29-32H2,(H,49,55)(H,50,56)(H,51,57)(H,52,58)/t41-,42-,43-,44+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285695
(Anthranilamide derivative | CHEMBL86263)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cccnc1NC(=O)OCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1NC(=O)OCc1ccccc1 Show InChI InChI=1S/C46H44N6O8/c53-39(37(27-31-15-5-1-6-16-31)49-43(55)35-23-13-25-47-41(35)51-45(57)59-29-33-19-9-3-10-20-33)40(54)38(28-32-17-7-2-8-18-32)50-44(56)36-24-14-26-48-42(36)52-46(58)60-30-34-21-11-4-12-22-34/h1-26,37-40,53-54H,27-30H2,(H,49,55)(H,50,56)(H,47,51,57)(H,48,52,58)/t37-,38-,39-,40+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM86655
(3-Hexanol derivative, 1)Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C33H34N2O4/c1-23-28(18-11-19-30(23)36)33(39)35-29(21-25-14-7-3-8-15-25)31(37)22-27(20-24-12-5-2-6-13-24)34-32(38)26-16-9-4-10-17-26/h2-19,27,29,31,36-37H,20-22H2,1H3,(H,34,38)(H,35,39)/t27-,29-,31-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60 | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Technical University of Lódz
| Assay Description
The Ki value were determine by a fluorometric assay with the fluorogenic and chromogenic substrate. |
Chem Biol Drug Des 79: 798-809 (2012)
Article DOI: 10.1111/j.1747-0285.2012.01328.x
BindingDB Entry DOI: 10.7270/Q25T3J23 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM86656
(3-Hexanol derivative, 2)Show SMILES Cc1ccccc1C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C)Cc1ccccc1 |r| Show InChI InChI=1S/C34H36N2O3/c1-24-13-9-11-19-29(24)33(38)35-28(21-26-15-5-3-6-16-26)23-32(37)31(22-27-17-7-4-8-18-27)36-34(39)30-20-12-10-14-25(30)2/h3-20,28,31-32,37H,21-23H2,1-2H3,(H,35,38)(H,36,39)/t28-,31-,32-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technical University of Lódz
| Assay Description
The Ki value were determine by a fluorometric assay with the fluorogenic and chromogenic substrate. |
Chem Biol Drug Des 79: 798-809 (2012)
Article DOI: 10.1111/j.1747-0285.2012.01328.x
BindingDB Entry DOI: 10.7270/Q25T3J23 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285699
(Anthranilamide derivative | CHEMBL87879)Show SMILES Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(C)c2NC(=O)OCc2ccccc2)c1NC(=O)OCc1ccccc1 Show InChI InChI=1S/C50H50N4O8/c1-33-17-15-27-39(43(33)53-49(59)61-31-37-23-11-5-12-24-37)47(57)51-41(29-35-19-7-3-8-20-35)45(55)46(56)42(30-36-21-9-4-10-22-36)52-48(58)40-28-16-18-34(2)44(40)54-50(60)62-32-38-25-13-6-14-26-38/h3-28,41-42,45-46,55-56H,29-32H2,1-2H3,(H,51,57)(H,52,58)(H,53,59)(H,54,60)/t41-,42-,45-,46+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285690
(Anthranilamide derivative | CHEMBL87309)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1NC(=O)OCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1NC(=O)OCc1ccccc1 Show InChI InChI=1S/C48H46N4O10/c53-39-25-13-23-35(41(39)51-47(59)61-29-33-19-9-3-10-20-33)45(57)49-37(27-31-15-5-1-6-16-31)43(55)44(56)38(28-32-17-7-2-8-18-32)50-46(58)36-24-14-26-40(54)42(36)52-48(60)62-30-34-21-11-4-12-22-34/h1-26,37-38,43-44,53-56H,27-30H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)/t37-,38-,43-,44+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285702
(Anthranilamide derivative | CHEMBL314408)Show SMILES OCC(=O)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)CO Show InChI InChI=1S/C36H38N4O8/c41-21-31(43)37-27-17-9-7-15-25(27)35(47)39-29(19-23-11-3-1-4-12-23)33(45)34(46)30(20-24-13-5-2-6-14-24)40-36(48)26-16-8-10-18-28(26)38-32(44)22-42/h1-18,29-30,33-34,41-42,45-46H,19-22H2,(H,37,43)(H,38,44)(H,39,47)(H,40,48)/t29-,30-,33-,34+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285692
(1N-[1-benzyl-2,3-dihydroxy-4-(2-methylcarboxamidop...)Show SMILES CC(=O)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(C)=O Show InChI InChI=1S/C36H38N4O6/c1-23(41)37-29-19-11-9-17-27(29)35(45)39-31(21-25-13-5-3-6-14-25)33(43)34(44)32(22-26-15-7-4-8-16-26)40-36(46)28-18-10-12-20-30(28)38-24(2)42/h3-20,31-34,43-44H,21-22H2,1-2H3,(H,37,41)(H,38,42)(H,39,45)(H,40,46)/t31-,32-,33-,34+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285693
(Anthranilamide derivative | CHEMBL84884)Show SMILES O[C@@H]([C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1NC(=O)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1NC(=O)OCc1ccccc1 Show InChI InChI=1S/C48H44Cl2N4O8/c49-37-25-13-23-35(41(37)53-47(59)61-29-33-19-9-3-10-20-33)45(57)51-39(27-31-15-5-1-6-16-31)43(55)44(56)40(28-32-17-7-2-8-18-32)52-46(58)36-24-14-26-38(50)42(36)54-48(60)62-30-34-21-11-4-12-22-34/h1-26,39-40,43-44,55-56H,27-30H2,(H,51,57)(H,52,58)(H,53,59)(H,54,60)/t39-,40-,43-,44+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285694
(Anthranilamide derivative | CHEMBL314004)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)COCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)COCc1ccccc1 Show InChI InChI=1S/C50H50N4O8/c55-45(33-61-31-37-21-9-3-10-22-37)51-41-27-15-13-25-39(41)49(59)53-43(29-35-17-5-1-6-18-35)47(57)48(58)44(30-36-19-7-2-8-20-36)54-50(60)40-26-14-16-28-42(40)52-46(56)34-62-32-38-23-11-4-12-24-38/h1-28,43-44,47-48,57-58H,29-34H2,(H,51,55)(H,52,56)(H,53,59)(H,54,60)/t43-,44-,47-,48+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285697
(Anthranilamide derivative | CHEMBL313254)Show SMILES Cc1nccnc1C(=O)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1nccnc1C Show InChI InChI=1S/C44H42N8O6/c1-27-37(47-23-21-45-27)43(57)49-33-19-11-9-17-31(33)41(55)51-35(25-29-13-5-3-6-14-29)39(53)40(54)36(26-30-15-7-4-8-16-30)52-42(56)32-18-10-12-20-34(32)50-44(58)38-28(2)46-22-24-48-38/h3-24,35-36,39-40,53-54H,25-26H2,1-2H3,(H,49,57)(H,50,58)(H,51,55)(H,52,56)/t35-,36-,39-,40+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate |
Bioorg Med Chem Lett 5: 2557-2562 (1995)
Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT |
More data for this
Ligand-Target Pair | |
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