Found 33 hits with Last Name = 'furer' and Initial = 'p' 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) | BDBM50147191
(4-(1,5-Dimethyl-hex-4-enyl)-3-hydroxy-5-oxo-2-phen...)Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6](=O)-[#8]C([#6]-[#6]-c2ccccc2)([#6](=O)-[#7]C([#6])([#6])[#6])[#6]-1=O Show InChI InChI=1S/C25H35NO4/c1-17(2)11-10-12-18(3)20-21(27)25(30-22(20)28,23(29)26-24(4,5)6)16-15-19-13-8-7-9-14-19/h7-9,11,13-14,18,20H,10,12,15-16H2,1-6H3,(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50404246
(CHEMBL2111673)Show SMILES C[C@H](C1C(=O)O[C@](CCc2ccccc2)(C(=O)NCc2ccc(cc2)C(C)(C)C)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C32H35NO4/c1-22(25-13-9-6-10-14-25)27-28(34)32(37-29(27)35,20-19-23-11-7-5-8-12-23)30(36)33-21-24-15-17-26(18-16-24)31(2,3)4/h5-18,22,27H,19-21H2,1-4H3,(H,33,36)/t22-,27?,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of Protease after after resynthesis and purification |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147191
(4-(1,5-Dimethyl-hex-4-enyl)-3-hydroxy-5-oxo-2-phen...)Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6](=O)-[#8]C([#6]-[#6]-c2ccccc2)([#6](=O)-[#7]C([#6])([#6])[#6])[#6]-1=O Show InChI InChI=1S/C25H35NO4/c1-17(2)11-10-12-18(3)20-21(27)25(30-22(20)28,23(29)26-24(4,5)6)16-15-19-13-8-7-9-14-19/h7-9,11,13-14,18,20H,10,12,15-16H2,1-6H3,(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of Protease after after resynthesis and purification |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147191
(4-(1,5-Dimethyl-hex-4-enyl)-3-hydroxy-5-oxo-2-phen...)Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6](=O)-[#8]C([#6]-[#6]-c2ccccc2)([#6](=O)-[#7]C([#6])([#6])[#6])[#6]-1=O Show InChI InChI=1S/C25H35NO4/c1-17(2)11-10-12-18(3)20-21(27)25(30-22(20)28,23(29)26-24(4,5)6)16-15-19-13-8-7-9-14-19/h7-9,11,13-14,18,20H,10,12,15-16H2,1-6H3,(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of Protease after CLND/MS correction from the crude mixture |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147193
(3-Hydroxy-5-oxo-2-phenethyl-4-(1-phenyl-ethyl)-2,5...)Show SMILES CC(C1C(=O)OC(CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O)c1ccccc1 Show InChI InChI=1S/C25H29NO4/c1-17(19-13-9-6-10-14-19)20-21(27)25(30-22(20)28,23(29)26-24(2,3)4)16-15-18-11-7-5-8-12-18/h5-14,17,20H,15-16H2,1-4H3,(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of Protease after CLND/MS correction from the crude mixture |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147197
(3-Hydroxy-5-oxo-2,4-diphenethyl-2,5-dihydro-furan-...)Show SMILES CC(C)(C)NC(=O)C1(CCc2ccccc2)OC(=O)C(CCc2ccccc2)C1=O Show InChI InChI=1S/C25H29NO4/c1-24(2,3)26-23(29)25(17-16-19-12-8-5-9-13-19)21(27)20(22(28)30-25)15-14-18-10-6-4-7-11-18/h4-13,20H,14-17H2,1-3H3,(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147193
(3-Hydroxy-5-oxo-2-phenethyl-4-(1-phenyl-ethyl)-2,5...)Show SMILES CC(C1C(=O)OC(CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O)c1ccccc1 Show InChI InChI=1S/C25H29NO4/c1-17(19-13-9-6-10-14-19)20-21(27)25(30-22(20)28,23(29)26-24(2,3)4)16-15-18-11-7-5-8-12-18/h5-14,17,20H,15-16H2,1-4H3,(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of Protease after CLND/MS correction from the crude mixture |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147193
(3-Hydroxy-5-oxo-2-phenethyl-4-(1-phenyl-ethyl)-2,5...)Show SMILES CC(C1C(=O)OC(CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O)c1ccccc1 Show InChI InChI=1S/C25H29NO4/c1-17(19-13-9-6-10-14-19)20-21(27)25(30-22(20)28,23(29)26-24(2,3)4)16-15-18-11-7-5-8-12-18/h5-14,17,20H,15-16H2,1-4H3,(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50404246
(CHEMBL2111673)Show SMILES C[C@H](C1C(=O)O[C@](CCc2ccccc2)(C(=O)NCc2ccc(cc2)C(C)(C)C)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C32H35NO4/c1-22(25-13-9-6-10-14-25)27-28(34)32(37-29(27)35,20-19-23-11-7-5-8-12-23)30(36)33-21-24-15-17-26(18-16-24)31(2,3)4/h5-18,22,27H,19-21H2,1-4H3,(H,33,36)/t22-,27?,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of Protease from the crude plate mixture |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50404246
(CHEMBL2111673)Show SMILES C[C@H](C1C(=O)O[C@](CCc2ccccc2)(C(=O)NCc2ccc(cc2)C(C)(C)C)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C32H35NO4/c1-22(25-13-9-6-10-14-25)27-28(34)32(37-29(27)35,20-19-23-11-7-5-8-12-23)30(36)33-21-24-15-17-26(18-16-24)31(2,3)4/h5-18,22,27H,19-21H2,1-4H3,(H,33,36)/t22-,27?,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of Protease after CLND/MS correction from the crude mixture |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50404246
(CHEMBL2111673)Show SMILES C[C@H](C1C(=O)O[C@](CCc2ccccc2)(C(=O)NCc2ccc(cc2)C(C)(C)C)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C32H35NO4/c1-22(25-13-9-6-10-14-25)27-28(34)32(37-29(27)35,20-19-23-11-7-5-8-12-23)30(36)33-21-24-15-17-26(18-16-24)31(2,3)4/h5-18,22,27H,19-21H2,1-4H3,(H,33,36)/t22-,27?,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of Protease after after resynthesis and purification |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147193
(3-Hydroxy-5-oxo-2-phenethyl-4-(1-phenyl-ethyl)-2,5...)Show SMILES CC(C1C(=O)OC(CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O)c1ccccc1 Show InChI InChI=1S/C25H29NO4/c1-17(19-13-9-6-10-14-19)20-21(27)25(30-22(20)28,23(29)26-24(2,3)4)16-15-18-11-7-5-8-12-18/h5-14,17,20H,15-16H2,1-4H3,(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of Protease from the crude plate mixture |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147195
(4-Benzyl-3-hydroxy-5-oxo-2-phenethyl-2,5-dihydro-f...)Show SMILES CC(C)(C)NC(=O)C1(CCc2ccccc2)OC(=O)C(Cc2ccccc2)C1=O Show InChI InChI=1S/C24H27NO4/c1-23(2,3)25-22(28)24(15-14-17-10-6-4-7-11-17)20(26)19(21(27)29-24)16-18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3,(H,25,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147191
(4-(1,5-Dimethyl-hex-4-enyl)-3-hydroxy-5-oxo-2-phen...)Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6](=O)-[#8]C([#6]-[#6]-c2ccccc2)([#6](=O)-[#7]C([#6])([#6])[#6])[#6]-1=O Show InChI InChI=1S/C25H35NO4/c1-17(2)11-10-12-18(3)20-21(27)25(30-22(20)28,23(29)26-24(4,5)6)16-15-19-13-8-7-9-14-19/h7-9,11,13-14,18,20H,10,12,15-16H2,1-6H3,(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of Protease from the crude plate mixture |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147209
(4-(4-tert-Butyl-phenyl)-3-hydroxy-5-oxo-2-phenethy...)Show SMILES CC(C)(C)NC(=O)C1(CCc2ccccc2)OC(=O)C(C1=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C27H33NO4/c1-25(2,3)20-14-12-19(13-15-20)21-22(29)27(32-23(21)30,24(31)28-26(4,5)6)17-16-18-10-8-7-9-11-18/h7-15,21H,16-17H2,1-6H3,(H,28,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147201
(4-Biphenyl-4-yl-3-hydroxy-5-oxo-2-phenethyl-2,5-di...)Show SMILES CC(C)(C)NC(=O)C1(CCc2ccccc2)OC(=O)C(C1=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H29NO4/c1-28(2,3)30-27(33)29(19-18-20-10-6-4-7-11-20)25(31)24(26(32)34-29)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h4-17,24H,18-19H2,1-3H3,(H,30,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147203
(3-Hydroxy-2-isopropyl-5-oxo-4-(1-phenyl-ethyl)-2,5...)Show SMILES CC(C)C1(OC(=O)C(C(C)c2ccccc2)C1=O)C(=O)NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C24H26ClNO4/c1-15(2)24(23(29)26-14-13-17-9-11-19(25)12-10-17)21(27)20(22(28)30-24)16(3)18-7-5-4-6-8-18/h4-12,15-16,20H,13-14H2,1-3H3,(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147202
((5-tert-Butylcarbamoyl-4-hydroxy-2-oxo-5-phenethyl...)Show SMILES CN(C1C(=O)OC(CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O)C(=O)OC(C)(C)C Show InChI InChI=1S/C23H32N2O6/c1-21(2,3)24-19(28)23(14-13-15-11-9-8-10-12-15)17(26)16(18(27)30-23)25(7)20(29)31-22(4,5)6/h8-12,16H,13-14H2,1-7H3,(H,24,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147200
(3-Hydroxy-2-methyl-5-oxo-4-phenethyl-2,5-dihydro-f...)Show InChI InChI=1S/C18H23NO4/c1-17(2,3)19-16(22)18(4)14(20)13(15(21)23-18)11-10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,19,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50404246
(CHEMBL2111673)Show SMILES C[C@H](C1C(=O)O[C@](CCc2ccccc2)(C(=O)NCc2ccc(cc2)C(C)(C)C)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C32H35NO4/c1-22(25-13-9-6-10-14-25)27-28(34)32(37-29(27)35,20-19-23-11-7-5-8-12-23)30(36)33-21-24-15-17-26(18-16-24)31(2,3)4/h5-18,22,27H,19-21H2,1-4H3,(H,33,36)/t22-,27?,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50404246
(CHEMBL2111673)Show SMILES C[C@H](C1C(=O)O[C@](CCc2ccccc2)(C(=O)NCc2ccc(cc2)C(C)(C)C)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C32H35NO4/c1-22(25-13-9-6-10-14-25)27-28(34)32(37-29(27)35,20-19-23-11-7-5-8-12-23)30(36)33-21-24-15-17-26(18-16-24)31(2,3)4/h5-18,22,27H,19-21H2,1-4H3,(H,33,36)/t22-,27?,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147190
(3-Hydroxy-2-methyl-5-oxo-4-phenethyl-2,5-dihydro-f...)Show InChI InChI=1S/C18H23NO4/c1-3-4-12-19-17(22)18(2)15(20)14(16(21)23-18)11-10-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,19,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147198
(3-Hydroxy-2-methyl-5-oxo-4-(1-phenyl-ethyl)-2,5-di...)Show SMILES CC(C1C(=O)OC(C)(C(=O)NC(C)(C)C)C1=O)c1ccccc1 Show InChI InChI=1S/C18H23NO4/c1-11(12-9-7-6-8-10-12)13-14(20)18(5,23-15(13)21)16(22)19-17(2,3)4/h6-11,13H,1-5H3,(H,19,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147204
(3-Hydroxy-4-(1H-indol-3-yl)-5-oxo-2-phenethyl-2,5-...)Show SMILES CC(C)(C)NC(=O)C1(CCc2ccccc2)OC(=O)C(C1=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C25H26N2O4/c1-24(2,3)27-23(30)25(14-13-16-9-5-4-6-10-16)21(28)20(22(29)31-25)18-15-26-19-12-8-7-11-17(18)19/h4-12,15,20,26H,13-14H2,1-3H3,(H,27,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.07E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147194
(4-(1,5-Dimethyl-hex-4-enyl)-3-hydroxy-2-methyl-5-o...)Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6](=O)-[#8]C([#6])([#6](=O)-[#7]C([#6])([#6])[#6])[#6]-1=O Show InChI InChI=1S/C18H29NO4/c1-11(2)9-8-10-12(3)13-14(20)18(7,23-15(13)21)16(22)19-17(4,5)6/h9,12-13H,8,10H2,1-7H3,(H,19,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.51E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147196
(CHEMBL321798 | {4-Hydroxy-2-oxo-5-phenethyl-5-[(te...)Show SMILES CN(C1C(=O)OC(CCc2ccccc2)(C(=O)NCC2CCCO2)C1=O)C(=O)OC(C)(C)C Show InChI InChI=1S/C24H32N2O7/c1-23(2,3)33-22(30)26(4)18-19(27)24(32-20(18)28,13-12-16-9-6-5-7-10-16)21(29)25-15-17-11-8-14-31-17/h5-7,9-10,17-18H,8,11-15H2,1-4H3,(H,25,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.93E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147208
(3-Hydroxy-2-methyl-5-oxo-4-(1-phenyl-ethyl)-2,5-di...)Show InChI InChI=1S/C17H21NO5/c1-11(12-7-5-4-6-8-12)13-14(19)17(2,23-15(13)20)16(21)18-9-10-22-3/h4-8,11,13H,9-10H2,1-3H3,(H,18,21) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.24E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147199
(3-Hydroxy-2-methyl-5-oxo-4-(1-phenyl-ethyl)-2,5-di...)Show InChI InChI=1S/C15H17NO4/c1-9(10-7-5-4-6-8-10)11-12(17)15(2,14(19)16-3)20-13(11)18/h4-9,11H,1-3H3,(H,16,19) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147206
(3-Hydroxy-2-methyl-5-oxo-4-phenethyl-2,5-dihydro-f...)Show InChI InChI=1S/C17H19NO4/c1-17(16(21)18-12-8-9-12)14(19)13(15(20)22-17)10-7-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,21) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147207
(3-Hydroxy-5-oxo-2-phenethyl-4-(3,4,5-trimethoxy-be...)Show SMILES COc1cc(CC2C(=O)OC(CCc3ccccc3)(C(=O)NCC(C)(C)C)C2=O)cc(OC)c1OC Show InChI InChI=1S/C28H35NO7/c1-27(2,3)17-29-26(32)28(13-12-18-10-8-7-9-11-18)24(30)20(25(31)36-28)14-19-15-21(33-4)23(35-6)22(16-19)34-5/h7-11,15-16,20H,12-14,17H2,1-6H3,(H,29,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147192
(3-Hydroxy-2-methyl-5-oxo-4-(3,4,5-trimethoxy-benzy...)Show SMILES COc1cc(CC2C(=O)OC(C)(C(=O)NC3CC3)C2=O)cc(OC)c1OC Show InChI InChI=1S/C19H23NO7/c1-19(18(23)20-11-5-6-11)16(21)12(17(22)27-19)7-10-8-13(24-2)15(26-4)14(9-10)25-3/h8-9,11-12H,5-7H2,1-4H3,(H,20,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147205
(3-Hydroxy-4-methylamino-5-oxo-2-phenethyl-2,5-dihy...)Show SMILES CNC1C(=O)OC(CCc2ccccc2)(C(=O)NCC2CCCO2)C1=O Show InChI InChI=1S/C19H24N2O5/c1-20-15-16(22)19(26-17(15)23,10-9-13-6-3-2-4-7-13)18(24)21-12-14-8-5-11-25-14/h2-4,6-7,14-15,20H,5,8-12H2,1H3,(H,21,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50147210
(3-Hydroxy-2-methyl-5-oxo-4-(3,4,5-trimethoxy-benzy...)Show SMILES COc1cc(CC2C(=O)OC(C)(C(=O)NC(C)(C)C)C2=O)cc(OC)c1OC Show InChI InChI=1S/C20H27NO7/c1-19(2,3)21-18(24)20(4)16(22)12(17(23)28-20)8-11-9-13(25-5)15(27-7)14(10-11)26-6/h9-10,12H,8H2,1-7H3,(H,21,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Morphochem AG
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Protease |
Bioorg Med Chem Lett 14: 3121-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.026
BindingDB Entry DOI: 10.7270/Q2SJ1K2K |
More data for this
Ligand-Target Pair | |
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