Found 13 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) | BDBM50283810
((S)-2-(3-1H-Benzoimidazol-2-yl-propionylamino)-N-{...)Show SMILES CC(C)(C)[C@H](NC(=O)CCc1nc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)C(C)(C)C Show InChI InChI=1S/C51H64N8O6/c1-50(2,3)46(58-43(61)27-25-41-52-35-21-13-14-22-36(35)53-41)48(64)56-39(29-32-17-9-7-10-18-32)34(31-60)45(63)40(30-33-19-11-8-12-20-33)57-49(65)47(51(4,5)6)59-44(62)28-26-42-54-37-23-15-16-24-38(37)55-42/h7-24,34,39-40,45-47,60,63H,25-31H2,1-6H3,(H,52,53)(H,54,55)(H,56,64)(H,57,65)(H,58,61)(H,59,62)/t34-,39+,40+,45+,46-,47-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for HIV-1 protease |
Bioorg Med Chem Lett 4: 2851-2856 (1994)
Article DOI: 10.1016/S0960-894X(01)80827-1
BindingDB Entry DOI: 10.7270/Q2833S0S |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283820
(((S)-1-{(1S,2S,3S,4S)-4-[(S)-2-(1H-Benzoimidazol-2...)Show SMILES CC(C)(C)[C@H](NC(=O)OCc1nc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1nc2ccccc2[nH]1)C(C)(C)C Show InChI InChI=1S/C49H60N8O8/c1-48(2,3)42(56-46(62)64-28-39-50-33-21-13-14-22-34(33)51-39)44(60)54-37(25-30-17-9-7-10-18-30)32(27-58)41(59)38(26-31-19-11-8-12-20-31)55-45(61)43(49(4,5)6)57-47(63)65-29-40-52-35-23-15-16-24-36(35)53-40/h7-24,32,37-38,41-43,58-59H,25-29H2,1-6H3,(H,50,51)(H,52,53)(H,54,60)(H,55,61)(H,56,62)(H,57,63)/t32-,37+,38+,41+,42-,43-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for HIV-1 protease |
Bioorg Med Chem Lett 4: 2851-2856 (1994)
Article DOI: 10.1016/S0960-894X(01)80827-1
BindingDB Entry DOI: 10.7270/Q2833S0S |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283821
(CHEMBL97592 | {(S)-1-[(1S,2S,3S,4S)-1-Benzyl-4-(2-...)Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C Show InChI InChI=1S/C47H60N4O8/c1-46(2,3)40(50-44(56)58-30-34-23-15-9-16-24-34)42(54)48-37(27-32-19-11-7-12-20-32)36(29-52)39(53)38(28-33-21-13-8-14-22-33)49-43(55)41(47(4,5)6)51-45(57)59-31-35-25-17-10-18-26-35/h7-26,36-41,52-53H,27-31H2,1-6H3,(H,48,54)(H,49,55)(H,50,56)(H,51,57)/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
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for HIV-1 protease |
Bioorg Med Chem Lett 4: 2851-2856 (1994)
Article DOI: 10.1016/S0960-894X(01)80827-1
BindingDB Entry DOI: 10.7270/Q2833S0S |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283816
(CHEMBL98878 | {1-[(1S,2S,3S,4S)-1-Benzyl-4-((S)-2-...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C Show InChI InChI=1S/C46H58N4O8/c1-31(2)39(49-44(55)57-29-34-22-14-8-15-23-34)42(53)48-38(27-33-20-12-7-13-21-33)40(52)36(28-51)37(26-32-18-10-6-11-19-32)47-43(54)41(46(3,4)5)50-45(56)58-30-35-24-16-9-17-25-35/h6-25,31,36-41,51-52H,26-30H2,1-5H3,(H,47,54)(H,48,53)(H,49,55)(H,50,56)/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
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for HIV-1 protease |
Bioorg Med Chem Lett 4: 2851-2856 (1994)
Article DOI: 10.1016/S0960-894X(01)80827-1
BindingDB Entry DOI: 10.7270/Q2833S0S |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283815
(CHEMBL97127 | {1-[(1S,2S,3S,4S)-1-Benzyl-4-((S)-2-...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C45H56N4O8/c1-30(2)39(48-44(54)56-28-34-21-13-7-14-22-34)42(52)46-37(25-32-17-9-5-10-18-32)36(27-50)41(51)38(26-33-19-11-6-12-20-33)47-43(53)40(31(3)4)49-45(55)57-29-35-23-15-8-16-24-35/h5-24,30-31,36-41,50-51H,25-29H2,1-4H3,(H,46,52)(H,47,53)(H,48,54)(H,49,55)/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
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for HIV-1 protease |
Bioorg Med Chem Lett 4: 2851-2856 (1994)
Article DOI: 10.1016/S0960-894X(01)80827-1
BindingDB Entry DOI: 10.7270/Q2833S0S |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283814
(((S)-1-{(1S,2R,3R,4S)-4-[(S)-2-(1H-Benzoimidazol-2...)Show SMILES CC(C)(C)[C@H](NC(=O)OCc1nc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1nc2ccccc2[nH]1)C(C)(C)C Show InChI InChI=1S/C49H60N8O8/c1-48(2,3)42(56-46(62)64-28-39-50-33-21-13-14-22-34(33)51-39)44(60)54-37(25-30-17-9-7-10-18-30)32(27-58)41(59)38(26-31-19-11-8-12-20-31)55-45(61)43(49(4,5)6)57-47(63)65-29-40-52-35-23-15-16-24-36(35)53-40/h7-24,32,37-38,41-43,58-59H,25-29H2,1-6H3,(H,50,51)(H,52,53)(H,54,60)(H,55,61)(H,56,62)(H,57,63)/t32-,37-,38-,41+,42+,43+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for HIV-1 protease |
Bioorg Med Chem Lett 4: 2851-2856 (1994)
Article DOI: 10.1016/S0960-894X(01)80827-1
BindingDB Entry DOI: 10.7270/Q2833S0S |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283812
((S)-2-(3-1H-Benzoimidazol-2-yl-propionylamino)-N-{...)Show SMILES CC(C)(C)[C@H](NC(=O)CCc1nc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)C(C)(C)C Show InChI InChI=1S/C51H64N8O6/c1-50(2,3)46(58-43(61)27-25-41-52-35-21-13-14-22-36(35)53-41)48(64)56-39(29-32-17-9-7-10-18-32)34(31-60)45(63)40(30-33-19-11-8-12-20-33)57-49(65)47(51(4,5)6)59-44(62)28-26-42-54-37-23-15-16-24-38(37)55-42/h7-24,34,39-40,45-47,60,63H,25-31H2,1-6H3,(H,52,53)(H,54,55)(H,56,64)(H,57,65)(H,58,61)(H,59,62)/t34-,39-,40-,45+,46+,47+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for HIV-1 protease |
Bioorg Med Chem Lett 4: 2851-2856 (1994)
Article DOI: 10.1016/S0960-894X(01)80827-1
BindingDB Entry DOI: 10.7270/Q2833S0S |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283809
(CHEMBL318965 | {(S)-1-[(1S,2R,3R,4S)-1-Benzyl-4-(2...)Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](CO)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C Show InChI InChI=1S/C47H60N4O8/c1-46(2,3)40(50-44(56)58-30-34-23-15-9-16-24-34)42(54)48-37(27-32-19-11-7-12-20-32)36(29-52)39(53)38(28-33-21-13-8-14-22-33)49-43(55)41(47(4,5)6)51-45(57)59-31-35-25-17-10-18-26-35/h7-26,36-41,52-53H,27-31H2,1-6H3,(H,48,54)(H,49,55)(H,50,56)(H,51,57)/t36-,37-,38-,39+,40?,41+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 255 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for HIV-1 protease |
Bioorg Med Chem Lett 4: 2851-2856 (1994)
Article DOI: 10.1016/S0960-894X(01)80827-1
BindingDB Entry DOI: 10.7270/Q2833S0S |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283811
(CHEMBL95767 | [(1S,2S,3S,4S)-1-Benzyl-4-((S)-2-ben...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H49N3O7/c1-25(2)32(40-35(44)46-24-28-19-13-8-14-20-28)34(43)38-31(22-27-17-11-7-12-18-27)33(42)29(23-41)30(21-26-15-9-6-10-16-26)39-36(45)47-37(3,4)5/h6-20,25,29-33,41-42H,21-24H2,1-5H3,(H,38,43)(H,39,45)(H,40,44)/t29-,30+,31+,32+,33+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for HIV-1 protease |
Bioorg Med Chem Lett 4: 2851-2856 (1994)
Article DOI: 10.1016/S0960-894X(01)80827-1
BindingDB Entry DOI: 10.7270/Q2833S0S |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283819
(CHEMBL96038 | {(S)-1-[(1S,2S,3S,4S)-1-Benzyl-4-((S...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C44H53N5O9/c1-29(2)39(49-44(56)58-28-33-21-13-6-14-22-33)42(54)47-36(24-31-17-9-4-10-18-31)40(52)34(26-50)35(23-30-15-7-3-8-16-30)46-41(53)37(25-38(45)51)48-43(55)57-27-32-19-11-5-12-20-32/h3-22,29,34-37,39-40,50,52H,23-28H2,1-2H3,(H2,45,51)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t34-,35+,36+,37+,39+,40+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for HIV-1 protease |
Bioorg Med Chem Lett 4: 2851-2856 (1994)
Article DOI: 10.1016/S0960-894X(01)80827-1
BindingDB Entry DOI: 10.7270/Q2833S0S |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283813
((2R,3S,4S)-4-((S)-2-Benzyloxycarbonylamino-3-methy...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(O)=O Show InChI InChI=1S/C45H54N4O9/c1-29(2)38(48-44(55)57-27-33-21-13-7-14-22-33)41(51)46-35(25-31-17-9-5-10-18-31)37(43(53)54)40(50)36(26-32-19-11-6-12-20-32)47-42(52)39(30(3)4)49-45(56)58-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,50H,25-28H2,1-4H3,(H,46,51)(H,47,52)(H,48,55)(H,49,56)(H,53,54)/t35-,36-,37+,38?,39-,40+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for HIV-1 protease |
Bioorg Med Chem Lett 4: 2851-2856 (1994)
Article DOI: 10.1016/S0960-894X(01)80827-1
BindingDB Entry DOI: 10.7270/Q2833S0S |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283817
(CHEMBL98015 | {1-[(1S,2R,3R,4S)-1-Benzyl-4-((S)-2-...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](CO)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C45H56N4O8/c1-30(2)39(48-44(54)56-28-34-21-13-7-14-22-34)42(52)46-37(25-32-17-9-5-10-18-32)36(27-50)41(51)38(26-33-19-11-6-12-20-33)47-43(53)40(31(3)4)49-45(55)57-29-35-23-15-8-16-24-35/h5-24,30-31,36-41,50-51H,25-29H2,1-4H3,(H,46,52)(H,47,53)(H,48,54)(H,49,55)/t36-,37-,38-,39?,40-,41+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for HIV-1 protease |
Bioorg Med Chem Lett 4: 2851-2856 (1994)
Article DOI: 10.1016/S0960-894X(01)80827-1
BindingDB Entry DOI: 10.7270/Q2833S0S |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283818
(CHEMBL97254 | [(1S,2R,3R,4S)-1-Benzyl-4-((S)-2-ben...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](CO)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H49N3O7/c1-25(2)32(40-35(44)46-24-28-19-13-8-14-20-28)34(43)38-31(22-27-17-11-7-12-18-27)33(42)29(23-41)30(21-26-15-9-6-10-16-26)39-36(45)47-37(3,4)5/h6-20,25,29-33,41-42H,21-24H2,1-5H3,(H,38,43)(H,39,45)(H,40,44)/t29-,30-,31-,32-,33+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for HIV-1 protease |
Bioorg Med Chem Lett 4: 2851-2856 (1994)
Article DOI: 10.1016/S0960-894X(01)80827-1
BindingDB Entry DOI: 10.7270/Q2833S0S |
More data for this
Ligand-Target Pair | |
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