Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50029233 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) | BDBM50037811
(CHEMBL123016 | {(S)-1-[(S)-3-Benzylcarbamoyl-1-(4-...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 Show InChI InChI=1S/C38H39F2N3O6/c1-26(2)33(43-37(47)49-25-30-16-10-5-11-17-30)35(45)42-32(34(44)38(39,40)36(46)41-23-28-12-6-3-7-13-28)22-27-18-20-31(21-19-27)48-24-29-14-8-4-9-15-29/h3-21,26,32-33H,22-25H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)/t32-,33-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound was determined against HIV-1 protease |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282534
(CHEMBL21095 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3-((R...)Show SMILES CC(C)[C@H](COCc1ccccc1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H49F2N3O7/c1-29(2)37(28-53-25-32-14-8-5-9-15-32)47-41(51)43(44,45)39(49)36(24-31-20-22-35(23-21-31)54-26-33-16-10-6-11-17-33)46-40(50)38(30(3)4)48-42(52)55-27-34-18-12-7-13-19-34/h5-23,29-30,36-38H,24-28H2,1-4H3,(H,46,50)(H,47,51)(H,48,52)/t36?,37-,38-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound was determined against HIV-1 protease |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282525
(CHEMBL283537 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3-((...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C46H47F2N3O7/c1-32(2)41(51-45(55)58-30-36-19-11-5-12-20-36)43(53)49-39(27-33-23-25-38(26-24-33)57-29-35-17-9-4-10-18-35)42(52)46(47,48)44(54)50-40(37-21-13-6-14-22-37)31-56-28-34-15-7-3-8-16-34/h3-26,32,39-41H,27-31H2,1-2H3,(H,49,53)(H,50,54)(H,51,55)/t39?,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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282527
(CHEMBL280358 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3-((...)Show SMILES CC(C)C[C@H](COCc1ccccc1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C44H51F2N3O7/c1-30(2)24-36(29-54-26-33-14-8-5-9-15-33)47-42(52)44(45,46)40(50)38(25-32-20-22-37(23-21-32)55-27-34-16-10-6-11-17-34)48-41(51)39(31(3)4)49-43(53)56-28-35-18-12-7-13-19-35/h5-23,30-31,36,38-39H,24-29H2,1-4H3,(H,47,52)(H,48,51)(H,49,53)/t36-,38?,39+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282526
(CHEMBL20642 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3,3-d...)Show SMILES CC(C)C(NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C=O Show InChI InChI=1S/C36H41F2N3O7/c1-23(2)30(20-42)40-34(45)36(37,38)32(43)29(19-25-15-17-28(18-16-25)47-21-26-11-7-5-8-12-26)39-33(44)31(24(3)4)41-35(46)48-22-27-13-9-6-10-14-27/h5-18,20,23-24,29-31H,19,21-22H2,1-4H3,(H,39,44)(H,40,45)(H,41,46)/t29?,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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282538
((R)-2-[4-((S)-2-Benzyloxycarbonylamino-3-methyl-bu...)Show SMILES CC(C)[C@@H](NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(O)=O Show InChI InChI=1S/C36H41F2N3O8/c1-22(2)29(41-35(47)49-21-26-13-9-6-10-14-26)32(43)39-28(31(42)36(37,38)34(46)40-30(23(3)4)33(44)45)19-24-15-17-27(18-16-24)48-20-25-11-7-5-8-12-25/h5-18,22-23,28-30H,19-21H2,1-4H3,(H,39,43)(H,40,46)(H,41,47)(H,44,45)/t28?,29-,30+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282529
(CHEMBL19752 | {(S)-1-[(R)-1-(4-Benzyloxy-benzyl)-3...)Show SMILES CC(C)[C@H](COCc1ccccc1)NC(=O)C(F)(F)[C@H](O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H51F2N3O7/c1-29(2)37(28-53-25-32-14-8-5-9-15-32)47-41(51)43(44,45)39(49)36(24-31-20-22-35(23-21-31)54-26-33-16-10-6-11-17-33)46-40(50)38(30(3)4)48-42(52)55-27-34-18-12-7-13-19-34/h5-23,29-30,36-39,49H,24-28H2,1-4H3,(H,46,50)(H,47,51)(H,48,52)/t36?,37-,38-,39+/m0/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 was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282537
(CHEMBL264739 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3,3-...)Show SMILES CC(C)CNC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C35H41F2N3O6/c1-23(2)20-38-33(43)35(36,37)31(41)29(19-25-15-17-28(18-16-25)45-21-26-11-7-5-8-12-26)39-32(42)30(24(3)4)40-34(44)46-22-27-13-9-6-10-14-27/h5-18,23-24,29-30H,19-22H2,1-4H3,(H,38,43)(H,39,42)(H,40,44)/t29?,30-/m0/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 was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282535
(CHEMBL19973 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3,3-d...)Show SMILES CC(C)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C34H39F2N3O6/c1-22(2)29(39-33(43)45-21-26-13-9-6-10-14-26)31(41)38-28(30(40)34(35,36)32(42)37-23(3)4)19-24-15-17-27(18-16-24)44-20-25-11-7-5-8-12-25/h5-18,22-23,28-29H,19-21H2,1-4H3,(H,37,42)(H,38,41)(H,39,43)/t28?,29-/m0/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 was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282528
((R)-2-[4-((S)-2-Benzyloxycarbonylamino-3-methyl-bu...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)N[C@H](C(C)C)C(=O)OC(C)(C)C Show InChI InChI=1S/C40H49F2N3O8/c1-25(2)32(45-38(50)52-24-29-16-12-9-13-17-29)35(47)43-31(22-27-18-20-30(21-19-27)51-23-28-14-10-8-11-15-28)34(46)40(41,42)37(49)44-33(26(3)4)36(48)53-39(5,6)7/h8-21,25-26,31-33H,22-24H2,1-7H3,(H,43,47)(H,44,49)(H,45,50)/t31?,32-,33+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282531
(CHEMBL278084 | {(S)-1-[(S)-1-(4-Benzyloxy-benzyl)-...)Show SMILES CC(C)[C@H](COCc1ccccc1)NC(=O)C(F)(F)[C@@H](O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H51F2N3O7/c1-29(2)37(28-53-25-32-14-8-5-9-15-32)47-41(51)43(44,45)39(49)36(24-31-20-22-35(23-21-31)54-26-33-16-10-6-11-17-33)46-40(50)38(30(3)4)48-42(52)55-27-34-18-12-7-13-19-34/h5-23,29-30,36-39,49H,24-28H2,1-4H3,(H,46,50)(H,47,51)(H,48,52)/t36?,37-,38-,39-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282530
(CHEMBL20135 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3,3-d...)Show SMILES CC(C)[C@H](CCc1ccccc1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H49F2N3O6/c1-29(2)36(25-22-31-14-8-5-9-15-31)47-41(51)43(44,45)39(49)37(26-32-20-23-35(24-21-32)53-27-33-16-10-6-11-17-33)46-40(50)38(30(3)4)48-42(52)54-28-34-18-12-7-13-19-34/h5-21,23-24,29-30,36-38H,22,25-28H2,1-4H3,(H,46,50)(H,47,51)(H,48,52)/t36-,37?,38-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282532
(CHEMBL280398 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3-((...)Show SMILES CC(C)[C@@H](COCc1ccccc1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H49F2N3O7/c1-29(2)37(28-53-25-32-14-8-5-9-15-32)47-41(51)43(44,45)39(49)36(24-31-20-22-35(23-21-31)54-26-33-16-10-6-11-17-33)46-40(50)38(30(3)4)48-42(52)55-27-34-18-12-7-13-19-34/h5-23,29-30,36-38H,24-28H2,1-4H3,(H,46,50)(H,47,51)(H,48,52)/t36?,37-,38+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282533
(CHEMBL262702 | {(R)-1-[1-(4-Benzyloxy-benzyl)-3-((...)Show SMILES CC(C)[C@H](COCc1ccccc1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H49F2N3O7/c1-29(2)37(28-53-25-32-14-8-5-9-15-32)47-41(51)43(44,45)39(49)36(24-31-20-22-35(23-21-31)54-26-33-16-10-6-11-17-33)46-40(50)38(30(3)4)48-42(52)55-27-34-18-12-7-13-19-34/h5-23,29-30,36-38H,24-28H2,1-4H3,(H,46,50)(H,47,51)(H,48,52)/t36?,37-,38+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282536
(CHEMBL278823 | {(R)-1-[1-(4-Benzyloxy-benzyl)-3-((...)Show SMILES CC(C)[C@@H](COCc1ccccc1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H49F2N3O7/c1-29(2)37(28-53-25-32-14-8-5-9-15-32)47-41(51)43(44,45)39(49)36(24-31-20-22-35(23-21-31)54-26-33-16-10-6-11-17-33)46-40(50)38(30(3)4)48-42(52)55-27-34-18-12-7-13-19-34/h5-23,29-30,36-38H,24-28H2,1-4H3,(H,46,50)(H,47,51)(H,48,52)/t36?,37-,38-/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 was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
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