Found 40 hits with Last Name = 'hastings' and Initial = 'rc' 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 |
|---|
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282079
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCc1nc2ccccc2[nH]1)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C49H60N8O5/c1-5-31(3)44(48(61)50-29-42-52-38-21-13-14-22-39(38)53-42)56-46(59)35(25-33-17-9-7-10-18-33)27-37(58)28-36(26-34-19-11-8-12-20-34)47(60)57-45(32(4)6-2)49(62)51-30-43-54-40-23-15-16-24-41(40)55-43/h7-24,31-32,35-37,44-45,58H,5-6,25-30H2,1-4H3,(H,50,61)(H,51,62)(H,52,53)(H,54,55)(H,56,59)(H,57,60)/t31-,32-,35+,36+,44-,45-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity against HIV-1 protease using [125I]-SPA (scintillation proximity assay) |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282079
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCc1nc2ccccc2[nH]1)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C49H60N8O5/c1-5-31(3)44(48(61)50-29-42-52-38-21-13-14-22-39(38)53-42)56-46(59)35(25-33-17-9-7-10-18-33)27-37(58)28-36(26-34-19-11-8-12-20-34)47(60)57-45(32(4)6-2)49(62)51-30-43-54-40-23-15-16-24-41(40)55-43/h7-24,31-32,35-37,44-45,58H,5-6,25-30H2,1-4H3,(H,50,61)(H,51,62)(H,52,53)(H,54,55)(H,56,59)(H,57,60)/t31-,32-,35+,36+,44-,45-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282077
((S)-2-((S)-2-{(2R,6R)-2-Butyl-4-hydroxy-6-[(S)-1-(...)Show SMILES CCCC[C@H](CC(O)C[C@@H](CCCC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C37H68N4O9/c1-13-15-17-25(32(43)38-28(21(3)4)34(45)40-30(23(7)8)36(47)49-11)19-27(42)20-26(18-16-14-2)33(44)39-29(22(5)6)35(46)41-31(24(9)10)37(48)50-12/h21-31,42H,13-20H2,1-12H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)/t25-,26-,28+,29+,30+,31+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282083
((S)-2-((S)-2-{(2R,6R)-2-Benzyl-4-hydroxy-6-[(S)-1-...)Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)Cc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C43H64N4O9/c1-25(2)34(40(51)46-36(27(5)6)42(53)55-9)44-38(49)31(21-29-17-13-11-14-18-29)23-33(48)24-32(22-30-19-15-12-16-20-30)39(50)45-35(26(3)4)41(52)47-37(28(7)8)43(54)56-10/h11-20,25-28,31-37,48H,21-24H2,1-10H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t31-,32-,34+,35+,36+,37+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282087
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1nc2ccccc2[nH]1)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C47H56N8O5/c1-29(2)42(46(59)48-27-40-50-36-19-11-12-20-37(36)51-40)54-44(57)33(23-31-15-7-5-8-16-31)25-35(56)26-34(24-32-17-9-6-10-18-32)45(58)55-43(30(3)4)47(60)49-28-41-52-38-21-13-14-22-39(38)53-41/h5-22,29-30,33-35,42-43,56H,23-28H2,1-4H3,(H,48,59)(H,49,60)(H,50,51)(H,52,53)(H,54,57)(H,55,58)/t33-,34-,42+,43+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282076
((S)-2-((S)-2-{(2R,6R)-2-Benzyl-4-hydroxy-6-[(S)-1-...)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)Cc1ccccc1)C(C)C Show InChI InChI=1S/C51H64N4O9/c1-33(2)44(48(59)52-42(50(61)63-5)29-37-23-15-9-16-24-37)54-46(57)39(27-35-19-11-7-12-20-35)31-41(56)32-40(28-36-21-13-8-14-22-36)47(58)55-45(34(3)4)49(60)53-43(51(62)64-6)30-38-25-17-10-18-26-38/h7-26,33-34,39-45,56H,27-32H2,1-6H3,(H,52,59)(H,53,60)(H,54,57)(H,55,58)/t39-,40-,42+,43+,44+,45+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282081
((S)-2-((S)-2-{(2R,6R)-2-Benzyl-4-hydroxy-6-[(S)-1-...)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)Cc1ccccc1 Show InChI InChI=1S/C53H68N4O9/c1-35(2)27-44(50(61)56-46(52(63)65-5)31-39-23-15-9-16-24-39)54-48(59)41(29-37-19-11-7-12-20-37)33-43(58)34-42(30-38-21-13-8-14-22-38)49(60)55-45(28-36(3)4)51(62)57-47(53(64)66-6)32-40-25-17-10-18-26-40/h7-26,35-36,41-47,58H,27-34H2,1-6H3,(H,54,59)(H,55,60)(H,56,61)(H,57,62)/t41-,42-,44+,45+,46+,47+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403198
(CHEMBL2114445)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C40H58N6O4/c1-6-26(2)36(39(50)41-23-35-42-32-18-12-13-19-33(32)43-35)44-37(48)30(20-27-14-8-7-9-15-27)21-31(47)25-46-24-29-17-11-10-16-28(29)22-34(46)38(49)45-40(3,4)5/h7-9,12-15,18-19,26,28-31,34,36,47H,6,10-11,16-17,20-25H2,1-5H3,(H,41,50)(H,42,43)(H,44,48)(H,45,49)/t26-,28-,29+,30+,31+,34-,36-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403197
(CHEMBL2115378)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C40H58N6O4/c1-6-26(2)36(39(50)41-23-35-42-32-18-12-13-19-33(32)43-35)44-37(48)30(20-27-14-8-7-9-15-27)21-31(47)25-46-24-29-17-11-10-16-28(29)22-34(46)38(49)45-40(3,4)5/h7-9,12-15,18-19,26,28-31,34,36,47H,6,10-11,16-17,20-25H2,1-5H3,(H,41,50)(H,42,43)(H,44,48)(H,45,49)/t26-,28-,29+,30+,31-,34-,36-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM519
((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
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282097
((3S,4aS,8aS)-2-((R)-4-{(1S,2S)-1-[(1H-Benzoimidazo...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)CC(O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C37H60N6O4/c1-8-24(4)33(36(47)38-20-32-39-29-15-11-12-16-30(29)40-32)41-34(45)27(17-23(2)3)18-28(44)22-43-21-26-14-10-9-13-25(26)19-31(43)35(46)42-37(5,6)7/h11-12,15-16,23-28,31,33,44H,8-10,13-14,17-22H2,1-7H3,(H,38,47)(H,39,40)(H,41,45)(H,42,46)/t24-,25-,26+,27+,28?,31-,33-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282098
(1-((R)-4-{(1S,2S)-1-[(1H-Benzoimidazol-2-ylmethyl)...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)CN1CCCCC1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C36H52N6O4/c1-6-24(2)32(35(46)37-22-31-38-28-16-10-11-17-29(28)39-31)40-33(44)26(20-25-14-8-7-9-15-25)21-27(43)23-42-19-13-12-18-30(42)34(45)41-36(3,4)5/h7-11,14-17,24,26-27,30,32,43H,6,12-13,18-23H2,1-5H3,(H,37,46)(H,38,39)(H,40,44)(H,41,45)/t24-,26+,27?,30?,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284036
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES OC(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C53H58N6O5/c60-41(33-39(31-35-15-3-1-4-16-35)50(61)56-44-23-11-13-25-46(44)58-52(63)48-29-27-37-19-7-9-21-42(37)54-48)34-40(32-36-17-5-2-6-18-36)51(62)57-45-24-12-14-26-47(45)59-53(64)49-30-28-38-20-8-10-22-43(38)55-49/h1-10,15-22,27-30,39-41,44-47,60H,11-14,23-26,31-34H2,(H,56,61)(H,57,62)(H,58,63)(H,59,64)/t39-,40-,44+,45+,46+,47+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against recombinant HIV-1 protease using 125 I-SPA (scintillation proximity assay) |
Bioorg Med Chem Lett 4: 583-588 (1994)
Article DOI: 10.1016/S0960-894X(01)80159-1
BindingDB Entry DOI: 10.7270/Q2Q24061 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284034
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES OC(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cn1)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cn1 Show InChI InChI=1S/C53H58N6O5/c60-43(29-41(27-35-15-3-1-4-16-35)50(61)56-44-23-11-13-25-46(44)58-52(63)48-31-37-19-7-9-21-39(37)33-54-48)30-42(28-36-17-5-2-6-18-36)51(62)57-45-24-12-14-26-47(45)59-53(64)49-32-38-20-8-10-22-40(38)34-55-49/h1-10,15-22,31-34,41-47,60H,11-14,23-30H2,(H,56,61)(H,57,62)(H,58,63)(H,59,64)/t41-,42-,44+,45+,46+,47+/m1/s1 | PDB
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DrugBank
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against recombinant HIV-1 protease using 125 I-SPA (scintillation proximity assay) |
Bioorg Med Chem Lett 4: 583-588 (1994)
Article DOI: 10.1016/S0960-894X(01)80159-1
BindingDB Entry DOI: 10.7270/Q2Q24061 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282103
((3S,4aS,8aS)-2-((R)-4-{(1S,2S)-1-[(1H-Benzoimidazo...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)CC(O)(CO)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C41H60N6O5/c1-6-27(2)36(39(51)42-23-35-43-32-18-12-13-19-33(32)44-35)45-37(49)31(20-28-14-8-7-9-15-28)22-41(52,26-48)25-47-24-30-17-11-10-16-29(30)21-34(47)38(50)46-40(3,4)5/h7-9,12-15,18-19,27,29-31,34,36,48,52H,6,10-11,16-17,20-26H2,1-5H3,(H,42,51)(H,43,44)(H,45,49)(H,46,50)/t27-,29-,30+,31+,34-,36-,41?/m0/s1 | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282095
(CHEMBL291155 | Quinoline-2-carboxylic acid {(1S,2S...)Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C42H57N5O4/c1-42(2,3)46-41(51)38-25-30-16-7-8-17-31(30)26-47(38)27-33(48)24-32(23-28-13-5-4-6-14-28)39(49)44-35-19-11-12-20-36(35)45-40(50)37-22-21-29-15-9-10-18-34(29)43-37/h4-6,9-10,13-15,18,21-22,30-33,35-36,38,48H,7-8,11-12,16-17,19-20,23-27H2,1-3H3,(H,44,49)(H,45,50)(H,46,51)/t30-,31+,32+,33?,35-,36-,38-/m0/s1 | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282092
(CHEMBL412878 | Isoquinoline-3-carboxylic acid {(1S...)Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cn1 Show InChI InChI=1S/C42H57N5O4/c1-42(2,3)46-41(51)38-24-30-16-8-10-18-32(30)26-47(38)27-34(48)22-33(21-28-13-5-4-6-14-28)39(49)44-35-19-11-12-20-36(35)45-40(50)37-23-29-15-7-9-17-31(29)25-43-37/h4-7,9,13-15,17,23,25,30,32-36,38,48H,8,10-12,16,18-22,24,26-27H2,1-3H3,(H,44,49)(H,45,50)(H,46,51)/t30-,32+,33+,34?,35-,36-,38-/m0/s1 | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282078
((S)-2-((S)-2-{(2R,6R)-2-Butyl-4-hydroxy-6-[(S)-1-(...)Show SMILES CCCC[C@H](CC(O)C[C@@H](CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC Show InChI InChI=1S/C29H52N4O9/c1-9-11-13-21(26(37)30-17(3)24(35)32-19(5)28(39)41-7)15-23(34)16-22(14-12-10-2)27(38)31-18(4)25(36)33-20(6)29(40)42-8/h17-23,34H,9-16H2,1-8H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36)/t17-,18-,19-,20-,21+,22+/m0/s1 | PDB
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PC sid
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| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282091
(1-((R)-4-{(1S,2S)-1-[(1H-Benzoimidazol-2-ylmethyl)...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)CN1CCC[C@@H]1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C35H50N6O4/c1-6-23(2)31(34(45)36-21-30-37-27-15-10-11-16-28(27)38-30)39-32(43)25(19-24-13-8-7-9-14-24)20-26(42)22-41-18-12-17-29(41)33(44)40-35(3,4)5/h7-11,13-16,23,25-26,29,31,42H,6,12,17-22H2,1-5H3,(H,36,45)(H,37,38)(H,39,43)(H,40,44)/t23-,25+,26?,29+,31-/m0/s1 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282085
((S)-2-((S)-2-{(2R,6R)-2-Butyl-4-hydroxy-6-[(S)-1-(...)Show SMILES CCCC[C@H](CC(O)C[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Show InChI InChI=1S/C47H72N4O9/c1-9-11-23-35(42(53)48-38(25-31(3)4)44(55)50-40(46(57)59-7)27-33-19-15-13-16-20-33)29-37(52)30-36(24-12-10-2)43(54)49-39(26-32(5)6)45(56)51-41(47(58)60-8)28-34-21-17-14-18-22-34/h13-22,31-32,35-41,52H,9-12,23-30H2,1-8H3,(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t35-,36-,38+,39+,40+,41+/m1/s1 | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282099
((4S,8aS)-2-((S)-4-{1-[(S,S)-(R)-2-(1H-Benzoimidazo...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C41H60N6O4/c1-6-27(2)37(40(51)42-21-20-36-43-33-18-12-13-19-34(33)44-36)45-38(49)31(22-28-14-8-7-9-15-28)23-32(48)26-47-25-30-17-11-10-16-29(30)24-35(47)39(50)46-41(3,4)5/h7-9,12-15,18-19,27,29-32,35,37,48H,6,10-11,16-17,20-26H2,1-5H3,(H,42,51)(H,43,44)(H,45,49)(H,46,50)/t27-,29-,30+,31+,32?,35-,37-/m0/s1 | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282100
((R)-2-Benzyl-5-[(tert-butylcarbamoyl-methyl)-cyclo...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)CC(O)(CO)CN(CC1CCCCC1)CC(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C40H60N6O5/c1-6-28(2)36(38(50)41-23-34-42-32-19-13-14-20-33(32)43-34)44-37(49)31(21-29-15-9-7-10-16-29)22-40(51,27-47)26-46(24-30-17-11-8-12-18-30)25-35(48)45-39(3,4)5/h7,9-10,13-16,19-20,28,30-31,36,47,51H,6,8,11-12,17-18,21-27H2,1-5H3,(H,41,50)(H,42,43)(H,44,49)(H,45,48)/t28-,31+,36-,40?/m0/s1 | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282101
((3S,4aS,8aS)-2-((R)-2-Hydroxy-4-{(1S,2S)-2-methyl-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C38H57N5O4/c1-6-26(2)34(37(47)40-23-31-18-12-13-19-39-31)41-35(45)30(20-27-14-8-7-9-15-27)21-32(44)25-43-24-29-17-11-10-16-28(29)22-33(43)36(46)42-38(3,4)5/h7-9,12-15,18-19,26,28-30,32-34,44H,6,10-11,16-17,20-25H2,1-5H3,(H,40,47)(H,41,45)(H,42,46)/t26-,28-,29+,30+,32?,33-,34-/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282102
(1-((R)-2-Hydroxy-4-{(1S,2S)-2-methyl-1-[(pyridin-2...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)CN1CCCCC1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C34H51N5O4/c1-6-24(2)30(33(43)36-22-27-16-10-12-18-35-27)37-31(41)26(20-25-14-8-7-9-15-25)21-28(40)23-39-19-13-11-17-29(39)32(42)38-34(3,4)5/h7-10,12,14-16,18,24,26,28-30,40H,6,11,13,17,19-23H2,1-5H3,(H,36,43)(H,37,41)(H,38,42)/t24-,26+,28?,29?,30-/m0/s1 | PDB
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PC sid
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284031
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES OC(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccncc1)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccncc1 Show InChI InChI=1S/C45H54N6O5/c52-37(29-35(27-31-11-3-1-4-12-31)44(55)50-40-17-9-7-15-38(40)48-42(53)33-19-23-46-24-20-33)30-36(28-32-13-5-2-6-14-32)45(56)51-41-18-10-8-16-39(41)49-43(54)34-21-25-47-26-22-34/h1-6,11-14,19-26,35-41,52H,7-10,15-18,27-30H2,(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t35-,36-,38+,39+,40+,41+/m1/s1 | PDB
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DrugBank
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| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against recombinant HIV-1 protease using 125 I-SPA (scintillation proximity assay) |
Bioorg Med Chem Lett 4: 583-588 (1994)
Article DOI: 10.1016/S0960-894X(01)80159-1
BindingDB Entry DOI: 10.7270/Q2Q24061 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282090
((S)-2-{(S)-2-[(R)-2-(2-{(R)-2-[(S)-1-((S)-1-Methox...)Show SMILES CCCC[C@H](CC1(C[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)CO1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Show InChI InChI=1S/C48H72N4O9/c1-9-11-23-36(42(53)49-38(25-32(3)4)44(55)51-40(46(57)59-7)27-34-19-15-13-16-20-34)29-48(31-61-48)30-37(24-12-10-2)43(54)50-39(26-33(5)6)45(56)52-41(47(58)60-8)28-35-21-17-14-18-22-35/h13-22,32-33,36-41H,9-12,23-31H2,1-8H3,(H,49,53)(H,50,54)(H,51,55)(H,52,56)/t36-,37-,38+,39+,40+,41+/m1/s1 | PDB
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284035
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES OC(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccccn1)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccccn1 Show InChI InChI=1S/C45H54N6O5/c52-35(29-33(27-31-15-3-1-4-16-31)42(53)48-36-19-7-9-21-38(36)50-44(55)40-23-11-13-25-46-40)30-34(28-32-17-5-2-6-18-32)43(54)49-37-20-8-10-22-39(37)51-45(56)41-24-12-14-26-47-41/h1-6,11-18,23-26,33-39,52H,7-10,19-22,27-30H2,(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t33-,34-,36+,37+,38+,39+/m1/s1 | PDB
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DrugBank
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PC sid
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against recombinant HIV-1 protease using 125 I-SPA (scintillation proximity assay) |
Bioorg Med Chem Lett 4: 583-588 (1994)
Article DOI: 10.1016/S0960-894X(01)80159-1
BindingDB Entry DOI: 10.7270/Q2Q24061 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282082
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCc1ccccn1)Cc1ccccc1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H58N6O5/c1-5-31(3)40(44(55)48-29-37-21-13-15-23-46-37)50-42(53)35(25-33-17-9-7-10-18-33)27-39(52)28-36(26-34-19-11-8-12-20-34)43(54)51-41(32(4)6-2)45(56)49-30-38-22-14-16-24-47-38/h7-24,31-32,35-36,39-41,52H,5-6,25-30H2,1-4H3,(H,48,55)(H,49,56)(H,50,53)(H,51,54)/t31-,32-,35+,36+,40-,41-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity in recombinant HIV-l protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284030
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES OC(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cccnc1)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cccnc1 Show InChI InChI=1S/C45H54N6O5/c52-37(27-35(25-31-13-3-1-4-14-31)44(55)50-40-21-9-7-19-38(40)48-42(53)33-17-11-23-46-29-33)28-36(26-32-15-5-2-6-16-32)45(56)51-41-22-10-8-20-39(41)49-43(54)34-18-12-24-47-30-34/h1-6,11-18,23-24,29-30,35-41,52H,7-10,19-22,25-28H2,(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t35-,36-,38+,39+,40+,41+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against recombinant HIV-1 protease using 125 I-SPA (scintillation proximity assay) |
Bioorg Med Chem Lett 4: 583-588 (1994)
Article DOI: 10.1016/S0960-894X(01)80159-1
BindingDB Entry DOI: 10.7270/Q2Q24061 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282084
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCCN1CCOCC1)Cc1ccccc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C45H70N6O7/c1-5-33(3)40(44(55)46-17-19-50-21-25-57-26-22-50)48-42(53)37(29-35-13-9-7-10-14-35)31-39(52)32-38(30-36-15-11-8-12-16-36)43(54)49-41(34(4)6-2)45(56)47-18-20-51-23-27-58-28-24-51/h7-16,33-34,37-41,52H,5-6,17-32H2,1-4H3,(H,46,55)(H,47,56)(H,48,53)(H,49,54)/t33-,34-,37+,38+,40-,41-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
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| Article
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity in recombinant HIV-l protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282093
((2S,3S)-2-[(R)-2-Benzyl-5-((3S,4aS,8aS)-3-tert-but...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)OC Show InChI InChI=1S/C33H53N3O5/c1-7-22(2)29(32(40)41-6)34-30(38)26(17-23-13-9-8-10-14-23)18-27(37)21-36-20-25-16-12-11-15-24(25)19-28(36)31(39)35-33(3,4)5/h8-10,13-14,22,24-29,37H,7,11-12,15-21H2,1-6H3,(H,34,38)(H,35,39)/t22-,24-,25+,26+,27?,28-,29-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282088
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES CC(C)CNC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)NCC(C)C)Cc1ccccc1 Show InChI InChI=1S/C29H42N2O3/c1-21(2)19-30-28(33)25(15-23-11-7-5-8-12-23)17-27(32)18-26(29(34)31-20-22(3)4)16-24-13-9-6-10-14-24/h5-14,21-22,25-27,32H,15-20H2,1-4H3,(H,30,33)(H,31,34)/t25-,26-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282080
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC1CCc2ccccc2N1)Cc1ccccc1)C(=O)NCC1CCc2ccccc2N1 Show InChI InChI=1S/C53H70N6O5/c1-5-35(3)48(52(63)54-33-43-27-25-39-21-13-15-23-46(39)56-43)58-50(61)41(29-37-17-9-7-10-18-37)31-45(60)32-42(30-38-19-11-8-12-20-38)51(62)59-49(36(4)6-2)53(64)55-34-44-28-26-40-22-14-16-24-47(40)57-44/h7-24,35-36,41-45,48-49,56-57,60H,5-6,25-34H2,1-4H3,(H,54,63)(H,55,64)(H,58,61)(H,59,62)/t35-,36-,41+,42+,43?,44?,45?,48-,49-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity in recombinant HIV-l protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282094
(CHEMBL41955 | Quinoline-2-carboxylic acid ((1S,2S)...)Show SMILES CN(CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1)[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C Show InChI InChI=1S/C42H59N5O4/c1-42(2,3)46-41(51)38(26-30-17-9-6-10-18-30)47(4)28-33(48)27-32(25-29-15-7-5-8-16-29)39(49)44-35-21-13-14-22-36(35)45-40(50)37-24-23-31-19-11-12-20-34(31)43-37/h5,7-8,11-12,15-16,19-20,23-24,30,32-33,35-36,38,48H,6,9-10,13-14,17-18,21-22,25-28H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)/t32-,33?,35+,36+,38+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282104
((2R,5S)-2-{[1-((R)-4-{(1S,2S)-1-[(1H-Benzoimidazol...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)CN1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C41H60N6O6/c1-8-26(3)35(39(51)42-24-34-43-31-18-13-14-19-32(31)44-34)45-37(49)29(22-28-16-11-10-12-17-28)23-30(48)25-47-21-15-20-33(47)38(50)46-36(27(4)9-2)40(52)53-41(5,6)7/h10-14,16-19,26-27,29-30,33,35-36,48H,8-9,15,20-25H2,1-7H3,(H,42,51)(H,43,44)(H,45,49)(H,46,50)/t26-,27-,29+,30?,33+,35-,36-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for inhibitory activity against HIV-1 Protease |
Bioorg Med Chem Lett 3: 1595-1600 (1993)
Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282089
((S)-2-((S)-2-{(2R,6R)-2-Butyl-4-hydroxy-4-hydroxym...)Show SMILES CCCC[C@H](CC(O)(CO)C[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Show InChI InChI=1S/C48H74N4O10/c1-9-11-23-36(42(54)49-38(25-32(3)4)44(56)51-40(46(58)61-7)27-34-19-15-13-16-20-34)29-48(60,31-53)30-37(24-12-10-2)43(55)50-39(26-33(5)6)45(57)52-41(47(59)62-8)28-35-21-17-14-18-22-35/h13-22,32-33,36-41,53,60H,9-12,23-31H2,1-8H3,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t36-,37-,38+,39+,40+,41+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284033
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(C)=O)Cc1ccccc1 Show InChI InChI=1S/C37H52N4O5/c1-25(42)38-32-17-9-11-19-34(32)40-36(45)29(21-27-13-5-3-6-14-27)23-31(44)24-30(22-28-15-7-4-8-16-28)37(46)41-35-20-12-10-18-33(35)39-26(2)43/h3-8,13-16,29-35,44H,9-12,17-24H2,1-2H3,(H,38,42)(H,39,43)(H,40,45)(H,41,46)/t29-,30-,32+,33+,34+,35+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against recombinant HIV-1 protease using 125 I-SPA (scintillation proximity assay) |
Bioorg Med Chem Lett 4: 583-588 (1994)
Article DOI: 10.1016/S0960-894X(01)80159-1
BindingDB Entry DOI: 10.7270/Q2Q24061 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284032
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)Cc1ccccc1 Show InChI InChI=1S/C43H64N4O7/c1-42(2,3)53-40(51)46-36-23-15-13-21-34(36)44-38(49)31(25-29-17-9-7-10-18-29)27-33(48)28-32(26-30-19-11-8-12-20-30)39(50)45-35-22-14-16-24-37(35)47-41(52)54-43(4,5)6/h7-12,17-20,31-37,48H,13-16,21-28H2,1-6H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t31-,32-,34+,35+,36+,37+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against recombinant HIV-1 protease using 125 I-SPA (scintillation proximity assay) |
Bioorg Med Chem Lett 4: 583-588 (1994)
Article DOI: 10.1016/S0960-894X(01)80159-1
BindingDB Entry DOI: 10.7270/Q2Q24061 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282086
((S)-2-((S)-2-{(2R,6R)-2-Benzyl-6-[(S)-1-((S)-1-met...)Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)Cc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C43H62N4O9/c1-25(2)34(40(51)46-36(27(5)6)42(53)55-9)44-38(49)31(21-29-17-13-11-14-18-29)23-33(48)24-32(22-30-19-15-12-16-20-30)39(50)45-35(26(3)4)41(52)47-37(28(7)8)43(54)56-10/h11-20,25-28,31-32,34-37H,21-24H2,1-10H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t31-,32-,34+,35+,36+,37+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282079
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCc1nc2ccccc2[nH]1)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C49H60N8O5/c1-5-31(3)44(48(61)50-29-42-52-38-21-13-14-22-39(38)53-42)56-46(59)35(25-33-17-9-7-10-18-33)27-37(58)28-36(26-34-19-11-8-12-20-34)47(60)57-45(32(4)6-2)49(62)51-30-43-54-40-23-15-16-24-41(40)55-43/h7-24,31-32,35-37,44-45,58H,5-6,25-30H2,1-4H3,(H,50,61)(H,51,62)(H,52,53)(H,54,55)(H,56,59)(H,57,60)/t31-,32-,35+,36+,44-,45-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against recombinant HIV-1 protease using [125I]-SPA (scintillation proximity assay) |
Bioorg Med Chem Lett 3: 1589-1594 (1993)
Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC |
More data for this
Ligand-Target Pair | |
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