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) | BDBM50283729
((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C38H46N6O6S/c1-38(2,3)42-37(48)31-24-44(51(49,50)33-12-6-9-26-10-7-15-40-34(26)33)19-18-43(31)23-29(45)21-28(20-25-13-16-39-17-14-25)36(47)41-35-30-11-5-4-8-27(30)22-32(35)46/h4-17,28-29,31-32,35,45-46H,18-24H2,1-3H3,(H,41,47)(H,42,48)/t28-,29+,31+,32-,35+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Human Immunodeficiency virus-1 protease |
Bioorg Med Chem Lett 4: 2769-2774 (1994)
Article DOI: 10.1016/S0960-894X(01)80592-8
BindingDB Entry DOI: 10.7270/Q25B02F8 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283732
((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C38H46N6O6S/c1-38(2,3)42-37(48)31-24-44(51(49,50)33-14-6-11-26-12-8-16-40-34(26)33)18-17-43(31)23-29(45)20-28(19-25-9-7-15-39-22-25)36(47)41-35-30-13-5-4-10-27(30)21-32(35)46/h4-16,22,28-29,31-32,35,45-46H,17-21,23-24H2,1-3H3,(H,41,47)(H,42,48)/t28-,29+,31+,32-,35+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Human Immunodeficiency virus-1 protease |
Bioorg Med Chem Lett 4: 2769-2774 (1994)
Article DOI: 10.1016/S0960-894X(01)80592-8
BindingDB Entry DOI: 10.7270/Q25B02F8 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283726
((S)-4-(4-Bromo-thiophen-2-ylmethyl)-1-[(2S,4R)-2-h...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc(Br)cs2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C34H44BrN5O4S/c1-34(2,3)38-33(44)29-20-39(19-27-16-25(35)21-45-27)11-12-40(29)18-26(41)14-24(13-22-7-6-10-36-17-22)32(43)37-31-28-9-5-4-8-23(28)15-30(31)42/h4-10,16-17,21,24,26,29-31,41-42H,11-15,18-20H2,1-3H3,(H,37,43)(H,38,44)/t24-,26+,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 | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Human Immunodeficiency virus-1 protease |
Bioorg Med Chem Lett 4: 2769-2774 (1994)
Article DOI: 10.1016/S0960-894X(01)80592-8
BindingDB Entry DOI: 10.7270/Q25B02F8 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283723
((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3sccc3s2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H45N5O4S2/c1-36(2,3)39-35(45)29-22-40(21-27-19-32-31(47-27)10-15-46-32)13-14-41(29)20-26(42)17-25(16-23-8-11-37-12-9-23)34(44)38-33-28-7-5-4-6-24(28)18-30(33)43/h4-12,15,19,25-26,29-30,33,42-43H,13-14,16-18,20-22H2,1-3H3,(H,38,44)(H,39,45)/t25-,26+,29+,30-,33+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Human Immunodeficiency virus-1 protease |
Bioorg Med Chem Lett 4: 2769-2774 (1994)
Article DOI: 10.1016/S0960-894X(01)80592-8
BindingDB Entry DOI: 10.7270/Q25B02F8 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283722
((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccsc3s2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H45N5O4S2/c1-36(2,3)39-34(45)30-22-40(21-28-18-25-10-15-46-35(25)47-28)13-14-41(30)20-27(42)17-26(16-23-8-11-37-12-9-23)33(44)38-32-29-7-5-4-6-24(29)19-31(32)43/h4-12,15,18,26-27,30-32,42-43H,13-14,16-17,19-22H2,1-3H3,(H,38,44)(H,39,45)/t26-,27+,30+,31-,32+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Human Immunodeficiency virus-1 protease |
Bioorg Med Chem Lett 4: 2769-2774 (1994)
Article DOI: 10.1016/S0960-894X(01)80592-8
BindingDB Entry DOI: 10.7270/Q25B02F8 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283733
((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3sccc3s2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H45N5O4S2/c1-36(2,3)39-35(45)29-22-40(21-27-18-32-31(47-27)10-14-46-32)12-13-41(29)20-26(42)16-25(15-23-7-6-11-37-19-23)34(44)38-33-28-9-5-4-8-24(28)17-30(33)43/h4-11,14,18-19,25-26,29-30,33,42-43H,12-13,15-17,20-22H2,1-3H3,(H,38,44)(H,39,45)/t25-,26+,29+,30-,33+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Human Immunodeficiency virus-1 protease |
Bioorg Med Chem Lett 4: 2769-2774 (1994)
Article DOI: 10.1016/S0960-894X(01)80592-8
BindingDB Entry DOI: 10.7270/Q25B02F8 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283731
((S)-4-(4-Bromo-thiophen-2-ylmethyl)-1-[(2S,4R)-2-h...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc(Br)cs2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C34H44BrN5O4S/c1-34(2,3)38-33(44)29-20-39(19-27-17-25(35)21-45-27)12-13-40(29)18-26(41)15-24(14-22-8-10-36-11-9-22)32(43)37-31-28-7-5-4-6-23(28)16-30(31)42/h4-11,17,21,24,26,29-31,41-42H,12-16,18-20H2,1-3H3,(H,37,43)(H,38,44)/t24-,26+,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 | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Human Immunodeficiency virus-1 protease |
Bioorg Med Chem Lett 4: 2769-2774 (1994)
Article DOI: 10.1016/S0960-894X(01)80592-8
BindingDB Entry DOI: 10.7270/Q25B02F8 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283727
((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccsc3s2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H45N5O4S2/c1-36(2,3)39-34(45)30-22-40(21-28-17-25-10-14-46-35(25)47-28)12-13-41(30)20-27(42)16-26(15-23-7-6-11-37-19-23)33(44)38-32-29-9-5-4-8-24(29)18-31(32)43/h4-11,14,17,19,26-27,30-32,42-43H,12-13,15-16,18,20-22H2,1-3H3,(H,38,44)(H,39,45)/t26-,27+,30+,31-,32+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Human Immunodeficiency virus-1 protease |
Bioorg Med Chem Lett 4: 2769-2774 (1994)
Article DOI: 10.1016/S0960-894X(01)80592-8
BindingDB Entry DOI: 10.7270/Q25B02F8 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283730
((S)-4-(2,6-Difluoro-benzyl)-1-[(2S,4R)-2-hydroxy-4...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2c(F)cccc2F)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H45F2N5O4/c1-36(2,3)41-35(47)31-22-42(21-28-29(37)11-6-12-30(28)38)14-15-43(31)20-26(44)17-25(16-23-8-7-13-39-19-23)34(46)40-33-27-10-5-4-9-24(27)18-32(33)45/h4-13,19,25-26,31-33,44-45H,14-18,20-22H2,1-3H3,(H,40,46)(H,41,47)/t25-,26+,31+,32-,33+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Human Immunodeficiency virus-1 protease |
Bioorg Med Chem Lett 4: 2769-2774 (1994)
Article DOI: 10.1016/S0960-894X(01)80592-8
BindingDB Entry DOI: 10.7270/Q25B02F8 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM517
((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Human Immunodeficiency virus-1 protease |
Bioorg Med Chem Lett 4: 2769-2774 (1994)
Article DOI: 10.1016/S0960-894X(01)80592-8
BindingDB Entry DOI: 10.7270/Q25B02F8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283724
((S)-4-(2,6-Difluoro-benzyl)-1-[(2S,4R)-2-hydroxy-4...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2c(F)cccc2F)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H45F2N5O4/c1-36(2,3)41-35(47)31-22-42(21-28-29(37)9-6-10-30(28)38)15-16-43(31)20-26(44)18-25(17-23-11-13-39-14-12-23)34(46)40-33-27-8-5-4-7-24(27)19-32(33)45/h4-14,25-26,31-33,44-45H,15-22H2,1-3H3,(H,40,46)(H,41,47)/t25-,26+,31+,32-,33+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Human Immunodeficiency virus-1 protease |
Bioorg Med Chem Lett 4: 2769-2774 (1994)
Article DOI: 10.1016/S0960-894X(01)80592-8
BindingDB Entry DOI: 10.7270/Q25B02F8 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283728
((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C35H46N6O4/c1-35(2,3)39-34(45)30-23-40(21-25-9-7-13-37-20-25)14-15-41(30)22-28(42)17-27(16-24-8-6-12-36-19-24)33(44)38-32-29-11-5-4-10-26(29)18-31(32)43/h4-13,19-20,27-28,30-32,42-43H,14-18,21-23H2,1-3H3,(H,38,44)(H,39,45)/t27-,28+,30+,31-,32+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Human Immunodeficiency virus-1 protease |
Bioorg Med Chem Lett 4: 2769-2774 (1994)
Article DOI: 10.1016/S0960-894X(01)80592-8
BindingDB Entry DOI: 10.7270/Q25B02F8 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283725
((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C35H46N6O4/c1-35(2,3)39-34(45)30-23-40(21-25-7-6-12-37-20-25)15-16-41(30)22-28(42)18-27(17-24-10-13-36-14-11-24)33(44)38-32-29-9-5-4-8-26(29)19-31(32)43/h4-14,20,27-28,30-32,42-43H,15-19,21-23H2,1-3H3,(H,38,44)(H,39,45)/t27-,28+,30+,31-,32+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Human Immunodeficiency virus-1 protease |
Bioorg Med Chem Lett 4: 2769-2774 (1994)
Article DOI: 10.1016/S0960-894X(01)80592-8
BindingDB Entry DOI: 10.7270/Q25B02F8 |
More data for this
Ligand-Target Pair | |
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