Found 30 hits of Enzyme Inhibition Constant Data 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) | BDBM520
(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
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285916
(CHEMBL90751 | [(1S,2S,4S)-1-Benzyl-4-(2-chloro-4-h...)Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1Cl)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C33H33ClN2O5/c34-29-21-27(37)16-17-28(29)32(39)35-26(18-23-10-4-1-5-11-23)20-31(38)30(19-24-12-6-2-7-13-24)36-33(40)41-22-25-14-8-3-9-15-25/h1-17,21,26,30-31,37-38H,18-20,22H2,(H,35,39)(H,36,40)/t26-,30-,31-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285903
(CHEMBL93589 | [(1S,3S,4S)-1-Benzyl-4-(2-chloro-4-h...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1Cl)Cc1ccccc1 Show InChI InChI=1S/C30H35ClN2O5/c1-30(2,3)38-29(37)32-22(16-20-10-6-4-7-11-20)18-27(35)26(17-21-12-8-5-9-13-21)33-28(36)24-15-14-23(34)19-25(24)31/h4-15,19,22,26-27,34-35H,16-18H2,1-3H3,(H,32,37)(H,33,36)/t22-,26-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285910
(CHEMBL93718 | [(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(3-...)Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N2O5/c1-21-25(16-11-17-27(21)34)29(36)33-26(19-23-14-9-6-10-15-23)28(35)20-24(18-22-12-7-5-8-13-22)32-30(37)38-31(2,3)4/h5-17,24,26,28,34-35H,18-20H2,1-4H3,(H,32,37)(H,33,36)/t24-,26-,28-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285911
(CHEMBL90090 | [(1S,3S,4S)-4-(3-Amino-2-methyl-benz...)Show SMILES Cc1c(N)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H39N3O4/c1-21-25(16-11-17-26(21)32)29(36)34-27(19-23-14-9-6-10-15-23)28(35)20-24(18-22-12-7-5-8-13-22)33-30(37)38-31(2,3)4/h5-17,24,27-28,35H,18-20,32H2,1-4H3,(H,33,37)(H,34,36)/t24-,27-,28-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285913
(CHEMBL327611 | [(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(4...)Show SMILES COc1cc(ccc1O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N2O6/c1-31(2,3)39-30(37)32-24(17-21-11-7-5-8-12-21)20-27(35)25(18-22-13-9-6-10-14-22)33-29(36)23-15-16-26(34)28(19-23)38-4/h5-16,19,24-25,27,34-35H,17-18,20H2,1-4H3,(H,32,37)(H,33,36)/t24-,25-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285890
(CHEMBL93566 | [(1S,3S,4S)-4-(5-Amino-2-chloro-benz...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(N)ccc1Cl)Cc1ccccc1 Show InChI InChI=1S/C30H36ClN3O4/c1-30(2,3)38-29(37)33-23(16-20-10-6-4-7-11-20)19-27(35)26(17-21-12-8-5-9-13-21)34-28(36)24-18-22(32)14-15-25(24)31/h4-15,18,23,26-27,35H,16-17,19,32H2,1-3H3,(H,33,37)(H,34,36)/t23-,26-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285905
(CHEMBL93540 | [(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(4-...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1)Cc1ccccc1 Show InChI InChI=1S/C30H36N2O5/c1-30(2,3)37-29(36)31-24(18-21-10-6-4-7-11-21)20-27(34)26(19-22-12-8-5-9-13-22)32-28(35)23-14-16-25(33)17-15-23/h4-17,24,26-27,33-34H,18-20H2,1-3H3,(H,31,36)(H,32,35)/t24-,26-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285900
(CHEMBL93481 | [(1S,3S,4S)-4-(4-Amino-2-chloro-benz...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N)cc1Cl)Cc1ccccc1 Show InChI InChI=1S/C30H36ClN3O4/c1-30(2,3)38-29(37)33-23(16-20-10-6-4-7-11-20)19-27(35)26(17-21-12-8-5-9-13-21)34-28(36)24-15-14-22(32)18-25(24)31/h4-15,18,23,26-27,35H,16-17,19,32H2,1-3H3,(H,33,37)(H,34,36)/t23-,26-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285897
(CHEMBL273562 | [(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(3...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)Cc1ccccc1 Show InChI InChI=1S/C30H36N2O5/c1-30(2,3)37-29(36)31-24(17-21-11-6-4-7-12-21)20-27(34)26(18-22-13-8-5-9-14-22)32-28(35)23-15-10-16-25(33)19-23/h4-16,19,24,26-27,33-34H,17-18,20H2,1-3H3,(H,31,36)(H,32,35)/t24-,26-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285906
(CHEMBL328531 | [(1S,3S,4S)-1-Benzyl-4-(3,4-dihydro...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)c(O)c1)Cc1ccccc1 Show InChI InChI=1S/C30H36N2O6/c1-30(2,3)38-29(37)31-23(16-20-10-6-4-7-11-20)19-26(34)24(17-21-12-8-5-9-13-21)32-28(36)22-14-15-25(33)27(35)18-22/h4-15,18,23-24,26,33-35H,16-17,19H2,1-3H3,(H,31,37)(H,32,36)/t23-,24-,26-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285899
(((1S,3S,4S)-4-Benzoylamino-1-benzyl-3-hydroxy-5-ph...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C30H36N2O4/c1-30(2,3)36-29(35)31-25(19-22-13-7-4-8-14-22)21-27(33)26(20-23-15-9-5-10-16-23)32-28(34)24-17-11-6-12-18-24/h4-18,25-27,33H,19-21H2,1-3H3,(H,31,35)(H,32,34)/t25-,26-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285889
(((1S,3S,4S)-1-Benzyl-4-tert-butoxycarbonylamino-3-...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 Show InChI InChI=1S/C28H40N2O5/c1-27(2,3)34-25(32)29-22(17-20-13-9-7-10-14-20)19-24(31)23(18-21-15-11-8-12-16-21)30-26(33)35-28(4,5)6/h7-16,22-24,31H,17-19H2,1-6H3,(H,29,32)(H,30,33)/t22-,23-,24-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285907
(CHEMBL93323 | [(1S,3S,4S)-4-(3-Amino-2-chloro-benz...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N)c1Cl)Cc1ccccc1 Show InChI InChI=1S/C30H36ClN3O4/c1-30(2,3)38-29(37)33-22(17-20-11-6-4-7-12-20)19-26(35)25(18-21-13-8-5-9-14-21)34-28(36)23-15-10-16-24(32)27(23)31/h4-16,22,25-26,35H,17-19,32H2,1-3H3,(H,33,37)(H,34,36)/t22-,25-,26-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285892
(((1S,3S,4S)-1-Benzyl-4-benzyloxycarbonylamino-3-hy...)Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C34H36N2O5/c37-32(31(22-27-15-7-2-8-16-27)36-34(39)41-25-29-19-11-4-12-20-29)23-30(21-26-13-5-1-6-14-26)35-33(38)40-24-28-17-9-3-10-18-28/h1-20,30-32,37H,21-25H2,(H,35,38)(H,36,39)/t30-,31-,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285915
(CHEMBL91657 | [(1S,2S,4S)-4-(4-Amino-2-chloro-benz...)Show SMILES Nc1ccc(C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)Cc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C33H34ClN3O4/c34-29-20-26(35)16-17-28(29)32(39)36-27(18-23-10-4-1-5-11-23)21-31(38)30(19-24-12-6-2-7-13-24)37-33(40)41-22-25-14-8-3-9-15-25/h1-17,20,27,30-31,38H,18-19,21-22,35H2,(H,36,39)(H,37,40)/t27-,30-,31-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285891
(CHEMBL441065 | [(1S,3S,4S)-4-(4-Amino-3-methoxy-be...)Show SMILES COc1cc(ccc1N)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H39N3O5/c1-31(2,3)39-30(37)33-24(17-21-11-7-5-8-12-21)20-27(35)26(18-22-13-9-6-10-14-22)34-29(36)23-15-16-25(32)28(19-23)38-4/h5-16,19,24,26-27,35H,17-18,20,32H2,1-4H3,(H,33,37)(H,34,36)/t24-,26-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
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DrugBank
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UniChem
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| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285908
(CHEMBL90139 | [(1S,3S,4S)-4-(3-Amino-4-hydroxy-ben...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)c(N)c1)Cc1ccccc1 Show InChI InChI=1S/C30H37N3O5/c1-30(2,3)38-29(37)32-23(16-20-10-6-4-7-11-20)19-27(35)25(17-21-12-8-5-9-13-21)33-28(36)22-14-15-26(34)24(31)18-22/h4-15,18,23,25,27,34-35H,16-17,19,31H2,1-3H3,(H,32,37)(H,33,36)/t23-,25-,27-/m0/s1 | PDB
MMDB
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DrugBank
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| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285893
(CHEMBL90699 | [(1S,3S,4S)-1-Benzyl-4-(3,4-diamino-...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N)c(N)c1)Cc1ccccc1 Show InChI InChI=1S/C30H38N4O4/c1-30(2,3)38-29(37)33-23(16-20-10-6-4-7-11-20)19-27(35)26(17-21-12-8-5-9-13-21)34-28(36)22-14-15-24(31)25(32)18-22/h4-15,18,23,26-27,35H,16-17,19,31-32H2,1-3H3,(H,33,37)(H,34,36)/t23-,26-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
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DrugBank
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PC cid
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| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285904
(CHEMBL191849 | [(1S,2S,4S)-4-(4-Amino-3-methoxy-be...)Show SMILES COc1cc(ccc1N)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C34H37N3O5/c1-41-32-21-27(17-18-29(32)35)33(39)36-28(19-24-11-5-2-6-12-24)22-31(38)30(20-25-13-7-3-8-14-25)37-34(40)42-23-26-15-9-4-10-16-26/h2-18,21,28,30-31,38H,19-20,22-23,35H2,1H3,(H,36,39)(H,37,40)/t28-,30-,31-/m0/s1 | PDB
MMDB
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B.MOAD
DrugBank
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| CHEMBL
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PC sid
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285909
(CHEMBL91443 | [(1S,3S,4S)-4-(4-Amino-3-hydroxy-ben...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N)c(O)c1)Cc1ccccc1 Show InChI InChI=1S/C30H37N3O5/c1-30(2,3)38-29(37)32-23(16-20-10-6-4-7-11-20)19-27(35)25(17-21-12-8-5-9-13-21)33-28(36)22-14-15-24(31)26(34)18-22/h4-15,18,23,25,27,34-35H,16-17,19,31H2,1-3H3,(H,32,37)(H,33,36)/t23-,25-,27-/m0/s1 | PDB
MMDB
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B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285898
(CHEMBL91601 | [(1S,3S,4S)-1-Benzyl-4-(2-chloro-5-h...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)ccc1Cl)Cc1ccccc1 Show InChI InChI=1S/C30H35ClN2O5/c1-30(2,3)38-29(37)32-22(16-20-10-6-4-7-11-20)18-27(35)26(17-21-12-8-5-9-13-21)33-28(36)24-19-23(34)14-15-25(24)31/h4-15,19,22,26-27,34-35H,16-18H2,1-3H3,(H,32,37)(H,33,36)/t22-,26-,27-/m0/s1 | PDB
MMDB
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DrugBank
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| CHEMBL
PC cid
PC sid
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285896
(CHEMBL90510 | [(1S,2S,4S)-4-(4-Amino-3-hydroxy-ben...)Show SMILES Nc1ccc(cc1O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C33H35N3O5/c34-28-17-16-26(20-30(28)37)32(39)35-27(18-23-10-4-1-5-11-23)21-31(38)29(19-24-12-6-2-7-13-24)36-33(40)41-22-25-14-8-3-9-15-25/h1-17,20,27,29,31,37-38H,18-19,21-22,34H2,(H,35,39)(H,36,40)/t27-,29-,31-/m0/s1 | PDB
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PC cid
PC sid
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285894
(CHEMBL541982 | [(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(3...)Show SMILES COc1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N2O5/c1-31(2,3)38-30(36)32-25(18-22-12-7-5-8-13-22)21-28(34)27(19-23-14-9-6-10-15-23)33-29(35)24-16-11-17-26(20-24)37-4/h5-17,20,25,27-28,34H,18-19,21H2,1-4H3,(H,32,36)(H,33,35)/t25-,27-,28-/m0/s1 | PDB
MMDB
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B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285902
(CHEMBL93120 | [(1S,3S,4S)-4-(3-Amino-2,6-dichloro-...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)ccc(N)c1Cl)Cc1ccccc1 Show InChI InChI=1S/C30H35Cl2N3O4/c1-30(2,3)39-29(38)34-21(16-19-10-6-4-7-11-19)18-25(36)24(17-20-12-8-5-9-13-20)35-28(37)26-22(31)14-15-23(33)27(26)32/h4-15,21,24-25,36H,16-18,33H2,1-3H3,(H,34,38)(H,35,37)/t21-,24-,25-/m0/s1 | PDB
MMDB
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DrugBank
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PC cid
PC sid
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285888
(((1S,2S,4S)-4-Benzoylamino-1-benzyl-2-hydroxy-5-ph...)Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C33H34N2O4/c36-31(23-29(21-25-13-5-1-6-14-25)34-32(37)28-19-11-4-12-20-28)30(22-26-15-7-2-8-16-26)35-33(38)39-24-27-17-9-3-10-18-27/h1-20,29-31,36H,21-24H2,(H,34,37)(H,35,38)/t29-,30-,31-/m0/s1 | PDB
MMDB
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B.MOAD
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PC sid
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285895
(CHEMBL91062 | [(1S,3S,4S)-1-Benzyl-4-(3,5-dihydrox...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)cc(O)c1)Cc1ccccc1 Show InChI InChI=1S/C30H36N2O6/c1-30(2,3)38-29(37)31-23(14-20-10-6-4-7-11-20)18-27(35)26(15-21-12-8-5-9-13-21)32-28(36)22-16-24(33)19-25(34)17-22/h4-13,16-17,19,23,26-27,33-35H,14-15,18H2,1-3H3,(H,31,37)(H,32,36)/t23-,26-,27-/m0/s1 | PDB
MMDB
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PC sid
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| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285901
(CHEMBL92272 | [(1S,3S,4S)-1-Benzyl-4-(2,6-dichloro...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl)Cc1ccccc1 Show InChI InChI=1S/C30H34Cl2N2O4/c1-30(2,3)38-29(37)33-22(17-20-11-6-4-7-12-20)19-26(35)25(18-21-13-8-5-9-14-21)34-28(36)27-23(31)15-10-16-24(27)32/h4-16,22,25-26,35H,17-19H2,1-3H3,(H,33,37)(H,34,36)/t22-,25-,26-/m0/s1 | PDB
MMDB
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DrugBank
GoogleScholar
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PC cid
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| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285912
(CHEMBL91557 | [(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(2-...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1O)Cc1ccccc1 Show InChI InChI=1S/C30H36N2O5/c1-30(2,3)37-29(36)31-23(18-21-12-6-4-7-13-21)20-27(34)25(19-22-14-8-5-9-15-22)32-28(35)24-16-10-11-17-26(24)33/h4-17,23,25,27,33-34H,18-20H2,1-3H3,(H,31,36)(H,32,35)/t23-,25-,27-/m0/s1 | PDB
MMDB
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B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50285914
(CHEMBL93389 | [(1S,3S,4S)-1-Benzyl-4-(3,5-diamino-...)Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(N)cc(N)c1)Cc1ccccc1 Show InChI InChI=1S/C30H38N4O4/c1-30(2,3)38-29(37)33-25(14-20-10-6-4-7-11-20)19-27(35)26(15-21-12-8-5-9-13-21)34-28(36)22-16-23(31)18-24(32)17-22/h4-13,16-18,25-27,35H,14-15,19,31-32H2,1-3H3,(H,33,37)(H,34,36)/t25-,26-,27-/m0/s1 | PDB
MMDB
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B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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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
Inhibitory activity against purified HIV protease |
Bioorg Med Chem Lett 5: 2725-2728 (1995)
Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN |
More data for this
Ligand-Target Pair | |
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