Found 37 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) | BDBM50287030
(2-(4-Hydroxy-2-oxo-6-phenyl-2H-pyran-3-ylsulfanylm...)Show SMILES CC(C)OC(=O)c1ccccc1CSc1c(O)cc(oc1=O)-c1ccccc1 Show InChI InChI=1S/C22H20O5S/c1-14(2)26-21(24)17-11-7-6-10-16(17)13-28-20-18(23)12-19(27-22(20)25)15-8-4-3-5-9-15/h3-12,14,23H,13H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287034
(2-(4-Hydroxy-2-oxo-6-phenyl-2H-pyran-3-ylsulfanylm...)Show SMILES Oc1cc(oc(=O)c1SCc1ccccc1C(=O)OC1CCCC1)-c1ccccc1 Show InChI InChI=1S/C24H22O5S/c25-20-14-21(16-8-2-1-3-9-16)29-24(27)22(20)30-15-17-10-4-7-13-19(17)23(26)28-18-11-5-6-12-18/h1-4,7-10,13-14,18,25H,5-6,11-12,15H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287023
(CHEMBL15053 | N-tert-Butyl-2-(4-hydroxy-2-oxo-6-ph...)Show SMILES CC(C)(C)NC(=O)c1ccccc1CSc1c(O)cc(oc1=O)-c1ccccc1 Show InChI InChI=1S/C23H23NO4S/c1-23(2,3)24-21(26)17-12-8-7-11-16(17)14-29-20-18(25)13-19(28-22(20)27)15-9-5-4-6-10-15/h4-13,25H,14H2,1-3H3,(H,24,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287038
(3-Benzylsulfanyl-4-hydroxy-6-(4-hydroxy-3,5-dimeth...)Show SMILES Cc1cc(cc(C)c1O)-c1cc(O)c(SCc2ccccc2)c(=O)o1 Show InChI InChI=1S/C20H18O4S/c1-12-8-15(9-13(2)18(12)22)17-10-16(21)19(20(23)24-17)25-11-14-6-4-3-5-7-14/h3-10,21-22H,11H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287021
(3-Benzylsulfanyl-6-(3,5-dimethyl-phenyl)-4-hydroxy...)Show InChI InChI=1S/C20H18O3S/c1-13-8-14(2)10-16(9-13)18-11-17(21)19(20(22)23-18)24-12-15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287026
(4-(5-Benzylsulfanyl-4-hydroxy-6-oxo-6H-pyran-2-yl)...)Show SMILES OC(=O)c1ccc(cc1)-c1cc(O)c(SCc2ccccc2)c(=O)o1 Show InChI InChI=1S/C19H14O5S/c20-15-10-16(13-6-8-14(9-7-13)18(21)22)24-19(23)17(15)25-11-12-4-2-1-3-5-12/h1-10,20H,11H2,(H,21,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287012
(3-Benzylsulfanyl-6-(2,3-dihydro-benzo[1,4]dioxin-6...)Show InChI InChI=1S/C19H14O5S/c20-14-9-16(13-6-7-15-17(8-13)23-11-22-15)24-19(21)18(14)25-10-12-4-2-1-3-5-12/h1-9,20H,10-11H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287036
(3-Benzylsulfanyl-4-hydroxy-6-(3-trifluoromethyl-ph...)Show SMILES Oc1cc(oc(=O)c1SCc1ccccc1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H13F3O3S/c20-19(21,22)14-8-4-7-13(9-14)16-10-15(23)17(18(24)25-16)26-11-12-5-2-1-3-6-12/h1-10,23H,11H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287010
(2-(4-Hydroxy-2-oxo-6-phenyl-2H-pyran-3-ylsulfanylm...)Show SMILES CC(C)COC(=O)c1ccccc1CSc1c(O)cc(oc1=O)-c1ccccc1 Show InChI InChI=1S/C23H22O5S/c1-15(2)13-27-22(25)18-11-7-6-10-17(18)14-29-21-19(24)12-20(28-23(21)26)16-8-4-3-5-9-16/h3-12,15,24H,13-14H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 619 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287025
(3-Benzylsulfanyl-6-(3,5-bis-trifluoromethyl-phenyl...)Show SMILES Oc1cc(oc(=O)c1SCc1ccccc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H12F6O3S/c21-19(22,23)13-6-12(7-14(8-13)20(24,25)26)16-9-15(27)17(18(28)29-16)30-10-11-4-2-1-3-5-11/h1-9,27H,10H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287018
(3-Benzylsulfanyl-6-(3-chloro-phenyl)-4-hydroxy-pyr...)Show InChI InChI=1S/C18H13ClO3S/c19-14-8-4-7-13(9-14)16-10-15(20)17(18(21)22-16)23-11-12-5-2-1-3-6-12/h1-10,20H,11H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287027
(3-Benzylsulfanyl-4-hydroxy-6-(4-hydroxy-phenyl)-py...)Show InChI InChI=1S/C18H14O4S/c19-14-8-6-13(7-9-14)16-10-15(20)17(18(21)22-16)23-11-12-4-2-1-3-5-12/h1-10,19-20H,11H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287011
(3-Benzylsulfanyl-4-hydroxy-6-(4-methoxy-3-methyl-p...)Show InChI InChI=1S/C20H18O4S/c1-13-10-15(8-9-17(13)23-2)18-11-16(21)19(20(22)24-18)25-12-14-6-4-3-5-7-14/h3-11,21H,12H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287041
(3-Benzylsulfanyl-6-(2,3-dihydro-benzo[1,4]dioxin-6...)Show InChI InChI=1S/C20H16O5S/c21-15-11-17(14-6-7-16-18(10-14)24-9-8-23-16)25-20(22)19(15)26-12-13-4-2-1-3-5-13/h1-7,10-11,21H,8-9,12H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287022
(3-Benzylsulfanyl-4-hydroxy-6-m-tolyl-pyran-2-one |...)Show InChI InChI=1S/C19H16O3S/c1-13-6-5-9-15(10-13)17-11-16(20)18(19(21)22-17)23-12-14-7-3-2-4-8-14/h2-11,20H,12H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287019
(3-Benzylsulfanyl-4-hydroxy-6-(3-methoxy-phenyl)-py...)Show InChI InChI=1S/C19H16O4S/c1-22-15-9-5-8-14(10-15)17-11-16(20)18(19(21)23-17)24-12-13-6-3-2-4-7-13/h2-11,20H,12H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287031
(2-(4-Hydroxy-2-oxo-6-phenyl-2H-pyran-3-ylsulfanylm...)Show InChI InChI=1S/C20H16O5S/c1-24-19(22)15-10-6-5-9-14(15)12-26-18-16(21)11-17(25-20(18)23)13-7-3-2-4-8-13/h2-11,21H,12H2,1H3 | 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
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287039
(3-Benzylsulfanyl-4-hydroxy-6-(3-hydroxy-phenyl)-py...)Show InChI InChI=1S/C18H14O4S/c19-14-8-4-7-13(9-14)16-10-15(20)17(18(21)22-16)23-11-12-5-2-1-3-6-12/h1-10,19-20H,11H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287014
(2-(4-Hydroxy-2-oxo-6-phenyl-2H-pyran-3-ylsulfanylm...)Show SMILES Oc1cc(oc(=O)c1SCc1ccccc1C(=O)OC1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C25H24O5S/c26-21-15-22(17-9-3-1-4-10-17)30-25(28)23(21)31-16-18-11-7-8-14-20(18)24(27)29-19-12-5-2-6-13-19/h1,3-4,7-11,14-15,19,26H,2,5-6,12-13,16H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287016
(3-Benzylsulfanyl-4-hydroxy-6-(4-methoxy-phenyl)-py...)Show InChI InChI=1S/C19H16O4S/c1-22-15-9-7-14(8-10-15)17-11-16(20)18(19(21)23-17)24-12-13-5-3-2-4-6-13/h2-11,20H,12H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM2568
(3-(benzylsulfanyl)-4-hydroxy-6-phenyl-2H-pyran-2-o...)Show InChI InChI=1S/C18H14O3S/c19-15-11-16(14-9-5-2-6-10-14)21-18(20)17(15)22-12-13-7-3-1-4-8-13/h1-11,19H,12H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287040
(3-Benzylsulfanyl-6-(3-ethyl-phenyl)-4-hydroxy-pyra...)Show InChI InChI=1S/C20H18O3S/c1-2-14-9-6-10-16(11-14)18-12-17(21)19(20(22)23-18)24-13-15-7-4-3-5-8-15/h3-12,21H,2,13H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287009
(3-Benzylsulfanyl-4-hydroxy-6-(3-trifluoromethoxy-p...)Show SMILES Oc1cc(oc(=O)c1SCc1ccccc1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C19H13F3O4S/c20-19(21,22)26-14-8-4-7-13(9-14)16-10-15(23)17(18(24)25-16)27-11-12-5-2-1-3-6-12/h1-10,23H,11H2 | PDB
MMDB
UniProtKB/SwissProt
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DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287033
(3-Benzylsulfanyl-6-(2-chloro-phenyl)-4-hydroxy-pyr...)Show InChI InChI=1S/C18H13ClO3S/c19-14-9-5-4-8-13(14)16-10-15(20)17(18(21)22-16)23-11-12-6-2-1-3-7-12/h1-10,20H,11H2 | PDB
MMDB
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B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287008
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-ylmethylsulfanyl...)Show InChI InChI=1S/C20H16O5S/c21-15-11-17(14-4-2-1-3-5-14)25-20(22)19(15)26-12-13-6-7-16-18(10-13)24-9-8-23-16/h1-7,10-11,21H,8-9,12H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287013
(4-Hydroxy-3-(4-methyl-benzylsulfanyl)-6-phenyl-pyr...)Show InChI InChI=1S/C19H16O3S/c1-13-7-9-14(10-8-13)12-23-18-16(20)11-17(22-19(18)21)15-5-3-2-4-6-15/h2-11,20H,12H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287015
(4-Hydroxy-3-(2-methyl-benzylsulfanyl)-6-phenyl-pyr...)Show InChI InChI=1S/C19H16O3S/c1-13-7-5-6-10-15(13)12-23-18-16(20)11-17(22-19(18)21)14-8-3-2-4-9-14/h2-11,20H,12H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287017
(3-Benzylsulfanyl-4-hydroxy-6-(2-hydroxy-phenyl)-py...)Show InChI InChI=1S/C18H14O4S/c19-14-9-5-4-8-13(14)16-10-15(20)17(18(21)22-16)23-11-12-6-2-1-3-7-12/h1-10,19-20H,11H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287024
(3-(4-Hydroxy-2-oxo-6-phenyl-2H-pyran-3-ylsulfanylm...)Show InChI InChI=1S/C19H14O5S/c20-15-10-16(13-6-2-1-3-7-13)24-19(23)17(15)25-11-12-5-4-8-14(9-12)18(21)22/h1-10,20H,11H2,(H,21,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287037
(4-Hydroxy-3-(3-methyl-benzylsulfanyl)-6-phenyl-pyr...)Show InChI InChI=1S/C19H16O3S/c1-13-6-5-7-14(10-13)12-23-18-16(20)11-17(22-19(18)21)15-8-3-2-4-9-15/h2-11,20H,12H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287043
(4-(4-Hydroxy-2-oxo-6-phenyl-2H-pyran-3-ylsulfanylm...)Show SMILES COC(=O)c1ccc(CSc2c(O)cc(oc2=O)-c2ccccc2)cc1 Show InChI InChI=1S/C20H16O5S/c1-24-19(22)15-9-7-13(8-10-15)12-26-18-16(21)11-17(25-20(18)23)14-5-3-2-4-6-14/h2-11,21H,12H2,1H3 | 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
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287020
(4-(4-Hydroxy-2-oxo-6-phenyl-2H-pyran-3-ylsulfanylm...)Show InChI InChI=1S/C19H14O5S/c20-15-10-16(13-4-2-1-3-5-13)24-19(23)17(15)25-11-12-6-8-14(9-7-12)18(21)22/h1-10,20H,11H2,(H,21,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287029
(3-Benzylsulfanyl-4-hydroxy-6-p-tolyl-pyran-2-one |...)Show InChI InChI=1S/C19H16O3S/c1-13-7-9-15(10-8-13)17-11-16(20)18(19(21)22-17)23-12-14-5-3-2-4-6-14/h2-11,20H,12H2,1H3 | PDB
MMDB
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B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287042
(3-Benzylsulfanyl-4-hydroxy-6-o-tolyl-pyran-2-one |...)Show InChI InChI=1S/C19H16O3S/c1-13-7-5-6-10-15(13)17-11-16(20)18(19(21)22-17)23-12-14-8-3-2-4-9-14/h2-11,20H,12H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287035
(3-(4-Hydroxy-2-oxo-6-phenyl-2H-pyran-3-ylsulfanylm...)Show SMILES COC(=O)c1cccc(CSc2c(O)cc(oc2=O)-c2ccccc2)c1 Show InChI InChI=1S/C20H16O5S/c1-24-19(22)15-9-5-6-13(10-15)12-26-18-16(21)11-17(25-20(18)23)14-7-3-2-4-8-14/h2-11,21H,12H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287028
(2-(4-Hydroxy-2-oxo-6-phenyl-2H-pyran-3-ylsulfanylm...)Show InChI InChI=1S/C19H14O5S/c20-15-10-16(12-6-2-1-3-7-12)24-19(23)17(15)25-11-13-8-4-5-9-14(13)18(21)22/h1-10,20H,11H2,(H,21,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50287044
(4-(5-Benzylsulfanyl-4-hydroxy-6-oxo-6H-pyran-2-yl)...)Show SMILES COC(=O)c1ccc(cc1)-c1cc(O)c(SCc2ccccc2)c(=O)o1 Show InChI InChI=1S/C20H16O5S/c1-24-19(22)15-9-7-14(8-10-15)17-11-16(21)18(20(23)25-17)26-12-13-5-3-2-4-6-13/h2-11,21H,12H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 protease(PR). |
Bioorg Med Chem Lett 6: 1133-1138 (1996)
Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418 |
More data for this
Ligand-Target Pair | |
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