Found 22 hits with Last Name = 'vanasse' and Initial = 'b' 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) | BDBM50403191
(CHEMBL16813)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C(C#N)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C22H19F5N2O3/c1-22(2,3)32-21(31)29-13(9-11-7-5-4-6-8-11)20(30)12(10-28)14-15(23)17(25)19(27)18(26)16(14)24/h4-8,12-13H,9H2,1-3H3,(H,29,31)/t12?,13-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403184
(CHEMBL276357)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=[OH+])C(=C=[N-])c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H22N3O5/c1-22(2,3)30-21(27)24-19(13-15-7-5-4-6-8-15)20(26)18(14-23)16-9-11-17(12-10-16)25(28)29/h4-12,19H,13H2,1-3H3,(H,24,27)/q-1/p+1/t19-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403188
(CHEMBL277272)Show SMILES CC(C)CC(NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(C#N)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C25H24F5N3O3/c1-12(2)9-17(32-13(3)34)25(36)33-16(10-14-7-5-4-6-8-14)24(35)15(11-31)18-19(26)21(28)23(30)22(29)20(18)27/h4-8,12,15-17H,9-10H2,1-3H3,(H,32,34)(H,33,36)/t15?,16-,17?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281880
(2-Acetylamino-4-methyl-pentanoic acid [(E)-(S)-1-b...)Show SMILES CC(C)CC(NC(C)=O)C(=O)NC(Cc1ccccc1)C(=[OH+])C(=C=[N-])c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C25H27N4O5/c1-16(2)13-23(27-17(3)30)25(32)28-22(14-18-7-5-4-6-8-18)24(31)21(15-26)19-9-11-20(12-10-19)29(33)34/h4-12,16,22-23H,13-14H2,1-3H3,(H,27,30)(H,28,32)/q-1/p+1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281880
(2-Acetylamino-4-methyl-pentanoic acid [(E)-(S)-1-b...)Show SMILES CC(C)CC(NC(C)=O)C(=O)NC(Cc1ccccc1)C(=[OH+])C(=C=[N-])c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C25H27N4O5/c1-16(2)13-23(27-17(3)30)25(32)28-22(14-18-7-5-4-6-8-18)24(31)21(15-26)19-9-11-20(12-10-19)29(33)34/h4-12,16,22-23H,13-14H2,1-3H3,(H,27,30)(H,28,32)/q-1/p+1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403180
(CHEMBL429953)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)C(N)Cc1ccc(OCc2ccccc2)cc1)C(=[OH+])C(=C=[N-])c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C31H31N4O7/c1-31(2,3)42-30(38)34-27(28(36)25(18-32)22-11-13-23(14-12-22)35(39)40)29(37)26(33)17-20-9-15-24(16-10-20)41-19-21-7-5-4-6-8-21/h4-16,26-27H,17,19,33H2,1-3H3,(H,34,38)/q-1/p+1/t26?,27-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403187
(CHEMBL17163)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)C(N)CC1CCCCC1)C(=[OH+])C(=C=[N-])c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H31N4O6/c1-24(2,3)34-23(31)27-20(22(30)19(26)13-15-7-5-4-6-8-15)21(29)18(14-25)16-9-11-17(12-10-16)28(32)33/h9-12,15,19-20H,4-8,13,26H2,1-3H3,(H,27,31)/q-1/p+1/t19?,20-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403190
(CHEMBL17314)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)C(N)Cc1c[nH]c2ccccc12)C(=[OH+])C(=C=[N-])c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H26N5O6/c1-26(2,3)37-25(34)30-22(23(32)19(13-27)15-8-10-17(11-9-15)31(35)36)24(33)20(28)12-16-14-29-21-7-5-4-6-18(16)21/h4-11,14,20,22,29H,12,28H2,1-3H3,(H,30,34)/q-1/p+1/t20?,22-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403192
(CHEMBL17085)Show SMILES [O-][N+](=O)c1ccc(cc1)C(=C=[N-])C(=[OH+])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H20N3O5/c26-16-22(20-11-13-21(14-12-20)28(31)32)24(29)23(15-18-7-3-1-4-8-18)27-25(30)33-17-19-9-5-2-6-10-19/h1-14,23H,15,17H2,(H,27,30)/q-1/p+1/t23-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403186
(CHEMBL17266)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)C(N)c1ccccc1)C(=[OH+])C(=C=[N-])c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H23N4O6/c1-23(2,3)33-22(30)26-19(21(29)18(25)15-7-5-4-6-8-15)20(28)17(13-24)14-9-11-16(12-10-14)27(31)32/h4-12,18-19H,25H2,1-3H3,(H,26,30)/q-1/p+1/t18?,19-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403183
(CHEMBL274748)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)C(N)Cc1ccc2ccccc2c1)C(=[OH+])C(=C=[N-])c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C28H27N4O6/c1-28(2,3)38-27(35)31-24(25(33)22(16-29)19-10-12-21(13-11-19)32(36)37)26(34)23(30)15-17-8-9-18-6-4-5-7-20(18)14-17/h4-14,23-24H,15,30H2,1-3H3,(H,31,35)/q-1/p+1/t23?,24-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403185
(CHEMBL17124)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)[C@@H](N)Cc1ccccc1)C(=[OH+])C(=C=[N-])c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H25N4O6/c1-24(2,3)34-23(31)27-20(22(30)19(26)13-15-7-5-4-6-8-15)21(29)18(14-25)16-9-11-17(12-10-16)28(32)33/h4-12,19-20H,13,26H2,1-3H3,(H,27,31)/q-1/p+1/t19-,20+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403193
(CHEMBL17316)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)C(N)Cc1ccc(cc1)[N+]([O-])=O)C(=[OH+])C(=C=[N-])c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H24N5O8/c1-24(2,3)37-23(32)27-20(21(30)18(13-25)15-6-10-17(11-7-15)29(35)36)22(31)19(26)12-14-4-8-16(9-5-14)28(33)34/h4-11,19-20H,12,26H2,1-3H3,(H,27,32)/q-1/p+1/t19?,20-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403182
(CHEMBL278214)Show SMILES [O-][N+](=O)c1ccc(cc1)C(=C=[N-])C(=[OH+])[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C32H24N3O5/c33-19-28(22-14-16-23(17-15-22)35(38)39)31(36)30(18-21-8-2-1-3-9-21)34-32(37)40-20-29-26-12-6-4-10-24(26)25-11-5-7-13-27(25)29/h1-17,29-30H,18,20H2,(H,34,37)/q-1/p+1/t30-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 7.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281879
(2-Acetylamino-4-methyl-pentanoic acid ((Z)-(S)-3-b...)Show SMILES CC(C)CC(NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(C#N)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H29N3O5S/c1-17(2)14-22(27-18(3)29)25(31)28-21(15-19-10-6-4-7-11-19)24(30)23(16-26)34(32,33)20-12-8-5-9-13-20/h4-13,17,21-23H,14-15H2,1-3H3,(H,27,29)(H,28,31)/t21-,22?,23?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 1.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281881
(2-Acetylamino-4-methyl-pentanoic acid ((E)-(S)-1-b...)Show SMILES CC(C)CC(NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(C#N)c1ccncc1 Show InChI InChI=1S/C24H28N4O3/c1-16(2)13-22(27-17(3)29)24(31)28-21(14-18-7-5-4-6-8-18)23(30)20(15-25)19-9-11-26-12-10-19/h4-12,16,20-22H,13-14H2,1-3H3,(H,27,29)(H,28,31)/t20?,21-,22?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 1.68E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403189
(CHEMBL278516)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)C1CCCN1)C(=[OH+])C(=C=[N-])c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H23N4O6/c1-20(2,3)30-19(27)23-16(18(26)15-5-4-10-22-15)17(25)14(11-21)12-6-8-13(9-7-12)24(28)29/h6-9,15-16,22H,4-5,10H2,1-3H3,(H,23,27)/q-1/p+1/t15?,16-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.81E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281882
(CHEMBL279310 | [(Z)-(S)-3-(2-Acetylamino-4-methyl-...)Show SMILES CCOP(=O)(OCC)C(C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)NC(C)=O Show InChI InChI=1S/C23H34N3O6P/c1-6-31-33(30,32-7-2)21(15-24)22(28)19(14-18-11-9-8-10-12-18)26-23(29)20(13-16(3)4)25-17(5)27/h8-12,16,19-21H,6-7,13-14H2,1-5H3,(H,25,27)(H,26,29)/t19-,20?,21?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 2.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281878
((Z)-(S)-4-(2-Acetylamino-4-methyl-pentanoylamino)-...)Show SMILES COC(=O)C(C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)NC(C)=O Show InChI InChI=1S/C21H27N3O5/c1-13(2)10-18(23-14(3)25)20(27)24-17(11-15-8-6-5-7-9-15)19(26)16(12-22)21(28)29-4/h5-9,13,16-18H,10-11H2,1-4H3,(H,23,25)(H,24,27)/t16?,17-,18?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 2.09E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403194
(CHEMBL278879)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)C(N)Cc1ccccc1)C(=O)C(C#N)C(=O)c1ccccc1 Show InChI InChI=1S/C25H27N3O5/c1-25(2,3)33-24(32)28-20(23(31)19(27)14-16-10-6-4-7-11-16)22(30)18(15-26)21(29)17-12-8-5-9-13-17/h4-13,18-20H,14,27H2,1-3H3,(H,28,32)/t18?,19?,20-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 3.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50403181
(CHEMBL17088)Show SMILES CC(C)(C)OC(=O)N[C@H](C(=[OH+])[CH-]c1ccc(cc1)[N+]([O-])=O)C(=O)C(N)Cc1ccccc1 Show InChI InChI=1S/C23H26N3O6/c1-23(2,3)32-22(29)25-20(21(28)18(24)13-15-7-5-4-6-8-15)19(27)14-16-9-11-17(12-10-16)26(30)31/h4-12,14,18,20H,13,24H2,1-3H3,(H,25,29)/q-1/p+1/t18?,20-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 6.89E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory constant against HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281883
(CHEMBL16491 | {[(E)-(S)-1-Benzyl-3-cyano-2-hydroxy...)Show SMILES CC(C)(C)OC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=[OH+])C(=C=[N-])c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H25N4O6/c1-24(2,3)34-23(31)26-15-21(29)27-20(13-16-7-5-4-6-8-16)22(30)19(14-25)17-9-11-18(12-10-17)28(32)33/h4-12,20H,13,15H2,1-3H3,(H,26,31)(H,27,29)/q-1/p+1/t20-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound required to inhibit HIV-1 protease was determined |
Bioorg Med Chem Lett 3: 1169-1174 (1993)
Article DOI: 10.1016/S0960-894X(00)80308-X
BindingDB Entry DOI: 10.7270/Q2GB23ZZ |
More data for this
Ligand-Target Pair | |
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