Found 66 hits with Last Name = 'bergman' and Initial = 'd' 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) | BDBM50369584
(CHEMBL1790230)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C Show InChI InChI=1S/C43H54N6O6/c1-5-28(4)39-42(53)44-22-11-23-55-32-19-16-30(17-20-32)25-36(41(52)49-39)45-26-37(50)35(24-29-12-7-6-8-13-29)47-43(54)38(27(2)3)48-40(51)34-21-18-31-14-9-10-15-33(31)46-34/h6-10,12-21,27-28,35-39,45,50H,5,11,22-26H2,1-4H3,(H,44,53)(H,47,54)(H,48,51)(H,49,52)/t28-,35+,36+,37-,38+,39+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibitory constant against HIV-1 protease |
J Med Chem 43: 3495-504 (2000)
BindingDB Entry DOI: 10.7270/Q2KH0P1S |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50092152
(2-Benzyl-5-(10-sec-butyl-9,12-dioxo-2-oxa-8,11-dia...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCCNC1=O)cc2)NC[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C41H54N4O6/c1-3-27(2)37-41(50)42-20-10-5-11-21-51-33-18-16-29(17-19-33)23-35(40(49)44-37)43-26-32(46)24-31(22-28-12-6-4-7-13-28)39(48)45-38-34-15-9-8-14-30(34)25-36(38)47/h4,6-9,12-19,27,31-32,35-38,43,46-47H,3,5,10-11,20-26H2,1-2H3,(H,42,50)(H,44,49)(H,45,48)/t27?,31-,32+,35+,36-,37+,38+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibitory constant against HIV-1 protease |
J Med Chem 43: 3495-504 (2000)
BindingDB Entry DOI: 10.7270/Q2KH0P1S |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288192
(CHEMBL83186 | N-[2-Hydroxy-2-((S)-8-isopropyl-6,9-...)Show SMILES CC(C)CCN(C[C@@H](O)[C@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H40N4O7S/c1-20(2)14-15-33(41(38,39)23-7-4-3-5-8-23)19-26(34)24-17-21-10-12-22(13-11-21)40-16-6-9-28(36)31-25(18-27(30)35)29(37)32-24/h3-5,7-8,10-13,20,24-26,34H,6,9,14-19H2,1-2H3,(H2,30,35)(H,31,36)(H,32,37)/t24-,25+,26-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
(Human immunodeficiency virus type 1) | BDBM13928
(2-[(8S,11S)-11-[(1R)-2-[benzene(3-methylbutyl)sulf...)Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H40N4O7S/c1-20(2)14-15-33(41(38,39)23-7-4-3-5-8-23)19-26(34)24-17-21-10-12-22(13-11-21)40-16-6-9-28(36)31-25(18-27(30)35)29(37)32-24/h3-5,7-8,10-13,20,24-26,34H,6,9,14-19H2,1-2H3,(H2,30,35)(H,31,36)(H,32,37)/t24-,25-,26+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 0.600 | -54.8 | n/a | n/a | n/a | n/a | n/a | 6.5 | 37 |
University of Queensland
| Assay Description
he Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fl... |
Biochemistry 38: 7978-88 (1999)
Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q20000B3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50086880
(Proteolytic Enzyme inhibitor)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](O)COS([O-])(=O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](CC(C)C)N2[C@@H](O)CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C2=O)C(C)C Show InChI InChI=1S/C45H72N10O16S/c1-22(2)18-30(51-40(62)33(57)21-70-72(67,68)69)38(60)53-36-25(7)71-44(66)35(24(5)6)52-39(61)31(20-26-11-13-27(56)14-12-26)54(8)43(65)32(19-23(3)4)55-34(58)16-15-29(42(55)64)50-37(59)28(49-41(36)63)10-9-17-48-45(46)47/h11-14,22-25,28-36,56-58H,9-10,15-21H2,1-8H3,(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,60)(H4,46,47,48)(H,67,68,69)/p-1/t25-,28+,29+,30-,31-,32+,33-,34+,35-,36+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
binding affinity towards HIV-1 Protease enzyme |
J Med Chem 43: 1271-81 (2001)
BindingDB Entry DOI: 10.7270/Q23779F5 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50086884
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
binding affinity towards HIV-1 Protease enzyme |
J Med Chem 43: 1271-81 (2001)
BindingDB Entry DOI: 10.7270/Q23779F5 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50092151
((10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENES...)Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C32H48N4O6S/c1-22(2)17-18-36(43(40,41)27-15-11-25(33)12-16-27)21-29(37)28-20-24-9-13-26(14-10-24)42-19-7-5-6-8-30(38)35-31(23(3)4)32(39)34-28/h9-16,22-23,28-29,31,37H,5-8,17-21,33H2,1-4H3,(H,34,39)(H,35,38)/t28-,29+,31-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibitory constant against HIV-1 protease |
J Med Chem 43: 3495-504 (2000)
BindingDB Entry DOI: 10.7270/Q2KH0P1S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
(Human immunodeficiency virus type 1) | BDBM13931
((2S)-N-[(2S,3R)-4-{[(8S,11S)-8-[(2R)-butan-2-yl]-7...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C(C)C)N1CCCC1=O |r| Show InChI InChI=1S/C37H53N5O7/c1-5-24(4)33-36(47)38-17-7-19-49-28-15-11-26(12-16-28)21-30(35(46)41-33)39-22-31(44)29(20-25-9-13-27(43)14-10-25)40-37(48)34(23(2)3)42-18-6-8-32(42)45/h9-16,23-24,29-31,33-34,39,43-44H,5-8,17-22H2,1-4H3,(H,38,47)(H,40,48)(H,41,46)/t24?,29-,30-,31+,33-,34-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.80 | -51.9 | n/a | n/a | n/a | n/a | n/a | 6.5 | 37 |
University of Queensland
| Assay Description
he Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fl... |
Biochemistry 38: 7978-88 (1999)
Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q20000B3 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50369797
(CHEMBL1794029)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)C(N)C[C@@H](O)[C@@H]1Cc2ccc(OCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2 Show InChI InChI=1S/C39H57N5O7/c1-5-25(4)36-38(48)41-18-8-20-51-29-14-10-26(11-15-29)21-30(37(47)44-36)31(40)23-33(45)32-22-27-12-16-28(17-13-27)50-19-7-6-9-34(46)43-35(24(2)3)39(49)42-32/h10-17,24-25,30-33,35-36,45H,5-9,18-23,40H2,1-4H3,(H,41,48)(H,42,49)(H,43,46)(H,44,47)/t25-,30+,31?,32-,33+,35-,36-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
binding affinity towards HIV-1 Protease enzyme |
J Med Chem 43: 1271-81 (2001)
BindingDB Entry DOI: 10.7270/Q23779F5 |
More data for this
Ligand-Target Pair | |
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
(Human immunodeficiency virus type 1) | BDBM13933
((2S)-N-[(2S,3R)-4-{[(8S,11S)-8-[(2S)-butan-2-yl]-7...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CC)C(C)C |r| Show InChI InChI=1S/C36H53N5O7/c1-6-23(5)33-35(46)37-17-8-18-48-27-15-11-25(12-16-27)20-29(34(45)41-33)38-21-30(43)28(19-24-9-13-26(42)14-10-24)39-36(47)32(22(3)4)40-31(44)7-2/h9-16,22-23,28-30,32-33,38,42-43H,6-8,17-21H2,1-5H3,(H,37,46)(H,39,47)(H,40,44)(H,41,45)/t23?,28-,29-,30+,32-,33-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3 | -50.6 | n/a | n/a | n/a | n/a | n/a | 6.5 | 37 |
University of Queensland
| Assay Description
he Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fl... |
Biochemistry 38: 7978-88 (1999)
Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q20000B3 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366461
(CHEMBL1790234)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@@H]1Cc2ccc(OCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2 Show InChI InChI=1S/C38H55N5O7/c1-5-25(4)35-37(47)39-18-8-20-50-29-16-12-27(13-17-29)22-31(36(46)43-35)40-23-32(44)30-21-26-10-14-28(15-11-26)49-19-7-6-9-33(45)42-34(24(2)3)38(48)41-30/h10-17,24-25,30-32,34-35,40,44H,5-9,18-23H2,1-4H3,(H,39,47)(H,41,48)(H,42,45)(H,43,46)/t25-,30+,31+,32-,34+,35+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288203
(1-{3-[2-(2-Acetylamino-4-methyl-pentanoylamino)-1-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C38H62N8O8/c1-8-23(6)33(38(54)44-32(22(4)5)34(40)50)45-37(53)29-15-12-16-46(29)20-30(48)26(18-25-13-10-9-11-14-25)42-36(52)28(19-31(39)49)43-35(51)27(17-21(2)3)41-24(7)47/h9-11,13-14,21-23,26-30,32-33,48H,8,12,15-20H2,1-7H3,(H2,39,49)(H2,40,50)(H,41,47)(H,42,52)(H,43,51)(H,44,54)(H,45,53)/t23-,26-,27-,28-,29-,30-,32-,33-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50369799
(CHEMBL1794024)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)C(N)C[C@@H](O)C(Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H50N4O6/c1-6-22(2)30-32(41)36-17-10-18-43-25-15-13-24(14-16-25)19-26(31(40)38-30)27(35)21-29(39)28(20-23-11-8-7-9-12-23)37-33(42)44-34(3,4)5/h7-9,11-16,22,26-30,39H,6,10,17-21,35H2,1-5H3,(H,36,41)(H,37,42)(H,38,40)/t22-,26+,27?,28?,29+,30-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
binding affinity towards HIV-1 Protease enzyme |
J Med Chem 43: 1271-81 (2001)
BindingDB Entry DOI: 10.7270/Q23779F5 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288179
(1-{3-[2-(2-Acetylamino-4-methyl-pentanoylamino)-1-...)Show SMILES CC(C)CCN(C[C@@H](O)[C@H]1Cc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H43N3O6S/c1-21(2)16-17-33(40(37,38)25-9-6-5-7-10-25)20-27(34)26-19-23-12-14-24(15-13-23)39-18-8-11-28(35)32-29(22(3)4)30(36)31-26/h5-7,9-10,12-15,21-22,26-27,29,34H,8,11,16-20H2,1-4H3,(H,31,36)(H,32,35)/t26-,27-,29+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
(Human immunodeficiency virus type 1) | BDBM13932
(Macrocyclic Peptidomimetic Inhibitor 6 | tert-buty...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C33H48N4O6/c1-6-22(2)29-31(40)34-17-10-18-42-25-15-13-24(14-16-25)20-27(30(39)37-29)35-21-28(38)26(19-23-11-8-7-9-12-23)36-32(41)43-33(3,4)5/h7-9,11-16,22,26-29,35,38H,6,10,17-21H2,1-5H3,(H,34,40)(H,36,41)(H,37,39)/t22?,26-,27-,28+,29-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 4 | -49.9 | n/a | n/a | n/a | n/a | n/a | 6.5 | 37 |
University of Queensland
| Assay Description
he Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fl... |
Biochemistry 38: 7978-88 (1999)
Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q20000B3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
(Human immunodeficiency virus type 1) | BDBM13929
((2R)-2-[(8S,11S)-6,9-dioxo-8-(propan-2-yl)-2-oxa-7...)Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C30H43N3O6S/c1-21(2)16-17-33(40(37,38)25-9-6-5-7-10-25)20-27(34)26-19-23-12-14-24(15-13-23)39-18-8-11-28(35)32-29(22(3)4)30(36)31-26/h5-7,9-10,12-15,21-22,26-27,29,34H,8,11,16-20H2,1-4H3,(H,31,36)(H,32,35)/t26-,27+,29-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 4 | -49.9 | n/a | n/a | n/a | n/a | n/a | 6.5 | 37 |
University of Queensland
| Assay Description
he Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fl... |
Biochemistry 38: 7978-88 (1999)
Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q20000B3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366456
(CHEMBL1790652)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1CC(O)[C@H]1Cc2ccc(OCC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C37H57N9O10/c1-5-20(4)32(37(55)44-31(19(2)3)33(40)51)45-36(54)26-7-6-14-46(26)17-27(47)24-15-21-8-10-22(11-9-21)56-18-30(50)41-23(12-13-28(38)48)34(52)43-25(16-29(39)49)35(53)42-24/h8-11,19-20,23-27,31-32,47H,5-7,12-18H2,1-4H3,(H2,38,48)(H2,39,49)(H2,40,51)(H,41,50)(H,42,53)(H,43,52)(H,44,55)(H,45,54)/t20-,23+,24+,25-,26-,27?,31-,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
(Human immunodeficiency virus type 1) | BDBM13930
((2S)-N-tert-butyl-1-[(2R)-2-[(8S,11S)-8-(carbamoyl...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2 |r| Show InChI InChI=1S/C28H43N5O6/c1-28(2,3)32-27(38)22-7-4-5-13-33(22)17-23(34)20-15-18-9-11-19(12-10-18)39-14-6-8-25(36)30-21(16-24(29)35)26(37)31-20/h9-12,20-23,34H,4-8,13-17H2,1-3H3,(H2,29,35)(H,30,36)(H,31,37)(H,32,38)/t20-,21-,22-,23+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
Article
PubMed
| 5 | -49.3 | n/a | n/a | n/a | n/a | n/a | 6.5 | 37 |
University of Queensland
| Assay Description
he Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fl... |
Biochemistry 38: 7978-88 (1999)
Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q20000B3 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288199
(1-[2-((S)-8-Carbamoylmethyl-6,9-dioxo-2-oxa-7,10-d...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@H]1Cc2ccc(OCCCC(=O)NC(CC(N)=O)C(=O)N1)cc2 Show InChI InChI=1S/C28H43N5O6/c1-28(2,3)32-27(38)22-7-4-5-13-33(22)17-23(34)20-15-18-9-11-19(12-10-18)39-14-6-8-25(36)30-21(16-24(29)35)26(37)31-20/h9-12,20-23,34H,4-8,13-17H2,1-3H3,(H2,29,35)(H,30,36)(H,31,37)(H,32,38)/t20-,21?,22+,23-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366462
(CHEMBL1790665)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H]1Cc2ccc(OCCCCC(=O)NC(CC(N)=O)C(=O)N1)cc2)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C35H55N7O8/c1-5-21(4)31(35(49)40-30(20(2)3)32(37)46)41-34(48)26-9-8-15-42(26)19-27(43)24-17-22-11-13-23(14-12-22)50-16-7-6-10-29(45)38-25(18-28(36)44)33(47)39-24/h11-14,20-21,24-27,30-31,43H,5-10,15-19H2,1-4H3,(H2,36,44)(H2,37,46)(H,38,45)(H,39,47)(H,40,49)(H,41,48)/t21-,24+,25?,26-,27-,30-,31-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50086886
(CHEMBL436149 | N-[14-Benzyl-18-(3-guanidino-propyl...)Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\C(Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C1=O)NC=O |t:24| Show InChI InChI=1S/C36H45N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,47H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24?,26-,27-,28+,29+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
binding affinity towards HIV-1 Protease enzyme |
J Med Chem 43: 1271-81 (2001)
BindingDB Entry DOI: 10.7270/Q23779F5 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366459
(CHEMBL1790649)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H]1Cc2ccc(OCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C41H58N8O10/c1-5-23(4)36(41(58)47-35(22(2)3)37(43)54)48-40(57)31-7-6-16-49(31)20-32(51)28-17-25-10-14-27(15-11-25)59-21-34(53)44-29(18-24-8-12-26(50)13-9-24)38(55)46-30(19-33(42)52)39(56)45-28/h8-15,22-23,28-32,35-36,50-51H,5-7,16-21H2,1-4H3,(H2,42,52)(H2,43,54)(H,44,53)(H,45,56)(H,46,55)(H,47,58)(H,48,57)/t23-,28+,29-,30-,31-,32-,35-,36-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366453
(CHEMBL1790650)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H]1Cc2ccc(OCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C34H52N8O9/c1-5-19(4)30(34(50)40-29(18(2)3)31(36)47)41-33(49)24-7-6-12-42(24)16-25(43)22-13-20-8-10-21(11-9-20)51-17-28(46)37-15-27(45)38-23(14-26(35)44)32(48)39-22/h8-11,18-19,22-25,29-30,43H,5-7,12-17H2,1-4H3,(H2,35,44)(H2,36,47)(H,37,46)(H,38,45)(H,39,48)(H,40,50)(H,41,49)/t19-,22+,23-,24-,25-,29-,30-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
(Human immunodeficiency virus type 1) | BDBM13927
((2S,3S)-N-[(1S)-1-carbamoyl-2-methylpropyl]-2-{[(2...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C34H53N7O8/c1-5-20(4)30(34(48)39-29(19(2)3)31(36)45)40-33(47)25-8-6-14-41(25)18-26(42)23-16-21-10-12-22(13-11-21)49-15-7-9-28(44)37-24(17-27(35)43)32(46)38-23/h10-13,19-20,23-26,29-30,42H,5-9,14-18H2,1-4H3,(H2,35,43)(H2,36,45)(H,37,44)(H,38,46)(H,39,48)(H,40,47)/t20-,23-,24-,25-,26-,29-,30-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
Article
PubMed
| 12 | -47.0 | n/a | n/a | n/a | n/a | n/a | 6.5 | 37 |
University of Queensland
| Assay Description
he Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fl... |
Biochemistry 38: 7978-88 (1999)
Article DOI: 10.1021/bi990174x
BindingDB Entry DOI: 10.7270/Q20000B3 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366452
(CHEMBL1790664)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H]1Cc2ccc(OCCCC(=O)NC(CC(N)=O)C(=O)N1)cc2)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C34H53N7O8/c1-5-20(4)30(34(48)39-29(19(2)3)31(36)45)40-33(47)25-8-6-14-41(25)18-26(42)23-16-21-10-12-22(13-11-21)49-15-7-9-28(44)37-24(17-27(35)43)32(46)38-23/h10-13,19-20,23-26,29-30,42H,5-9,14-18H2,1-4H3,(H2,35,43)(H2,36,45)(H,37,44)(H,38,46)(H,39,48)(H,40,47)/t20-,23+,24?,25-,26-,29-,30-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50086883
(2-{2-[2-(8-Carbamoylmethyl-6,9-dioxo-2-oxa-7,10-di...)Show SMILES CCC(C)C(NC(=O)C(Cc1ccccc1)NC[C@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)C(=O)NC(C(C)C)C(N)=O Show InChI InChI=1S/C38H55N7O8/c1-5-23(4)34(38(52)44-33(22(2)3)35(40)49)45-36(50)28(19-24-10-7-6-8-11-24)41-21-30(46)27-18-25-13-15-26(16-14-25)53-17-9-12-32(48)42-29(20-31(39)47)37(51)43-27/h6-8,10-11,13-16,22-23,27-30,33-34,41,46H,5,9,12,17-21H2,1-4H3,(H2,39,47)(H2,40,49)(H,42,48)(H,43,51)(H,44,52)(H,45,50)/t23?,27-,28?,29-,30-,33?,34?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
binding affinity towards HIV-1 Protease enzyme |
J Med Chem 43: 1271-81 (2001)
BindingDB Entry DOI: 10.7270/Q23779F5 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288178
(1-[2-((S)-9-Carbamoylmethyl-7,10-dioxo-2-oxa-8,11-...)Show SMILES CC(C)[C@@H]1NC(=O)CCCCOc2ccc(C[C@@H](NC1=O)[C@H](O)CN1CCCC[C@H]1C(=O)NC(C)(C)C)cc2 Show InChI InChI=1S/C30H48N4O5/c1-20(2)27-29(38)31-23(18-21-12-14-22(15-13-21)39-17-9-7-11-26(36)32-27)25(35)19-34-16-8-6-10-24(34)28(37)33-30(3,4)5/h12-15,20,23-25,27,35H,6-11,16-19H2,1-5H3,(H,31,38)(H,32,36)(H,33,37)/t23-,24+,25-,27+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288174
(1-[2-(13-Amino-7-carbamoylmethyl-6,9,12-trioxo-1,2...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C38H62N8O8/c1-8-23(6)33(38(54)44-32(22(4)5)34(40)50)45-37(53)29-15-12-16-46(29)20-30(48)26(18-25-13-10-9-11-14-25)42-36(52)28(19-31(39)49)43-35(51)27(17-21(2)3)41-24(7)47/h9-11,13-14,21-23,26-30,32-33,48H,8,12,15-20H2,1-7H3,(H2,39,49)(H2,40,50)(H,41,47)(H,42,52)(H,43,51)(H,44,54)(H,45,53)/t23-,26-,27-,28-,29-,30+,32-,33-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288184
(1-[2-((S)-10-Carbamoylmethyl-8,11-dioxo-2-oxa-9,12...)Show SMILES CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(C[C@@H](NC1=O)[C@H](O)CN1CCCC[C@H]1C(=O)NC(C)(C)C)cc2 Show InChI InChI=1S/C31H50N4O5/c1-21(2)28-30(39)32-24(26(36)20-35-17-9-8-11-25(35)29(38)34-31(3,4)5)19-22-13-15-23(16-14-22)40-18-10-6-7-12-27(37)33-28/h13-16,21,24-26,28,36H,6-12,17-20H2,1-5H3,(H,32,39)(H,33,37)(H,34,38)/t24-,25+,26-,28+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288187
(1-[2-((S)-8-Carbamoylmethyl-6,9-dioxo-2-oxa-7,10-d...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H]1Cc2ccc(OCCCC(=O)NC(CC(N)=O)C(=O)N1)cc2 Show InChI InChI=1S/C27H41N5O6/c1-27(2,3)31-26(37)21-6-4-12-32(21)16-22(33)19-14-17-8-10-18(11-9-17)38-13-5-7-24(35)29-20(15-23(28)34)25(36)30-19/h8-11,19-22,33H,4-7,12-16H2,1-3H3,(H2,28,34)(H,29,35)(H,30,36)(H,31,37)/t19-,20?,21+,22-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366458
(CHEMBL1790666)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H]1Cc2ccc(OCCCCC(=O)NC(CC(N)=O)C(=O)N1)cc2)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C35H55N7O8/c1-5-21(4)31(35(49)40-30(20(2)3)32(37)46)41-34(48)26-9-8-15-42(26)19-27(43)24-17-22-11-13-23(14-12-22)50-16-7-6-10-29(45)38-25(18-28(36)44)33(47)39-24/h11-14,20-21,24-27,30-31,43H,5-10,15-19H2,1-4H3,(H2,36,44)(H2,37,46)(H,38,45)(H,39,47)(H,40,49)(H,41,48)/t21-,24+,25?,26-,27+,30-,31-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288176
(1-[2-((S)-8-Carbamoylmethyl-6,9-dioxo-2-oxa-7,10-d...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H]1Cc2ccc(OCCCC(=O)NC(CC(N)=O)C(=O)N1)cc2 Show InChI InChI=1S/C27H41N5O6/c1-27(2,3)31-26(37)21-6-4-12-32(21)16-22(33)19-14-17-8-10-18(11-9-17)38-13-5-7-24(35)29-20(15-23(28)34)25(36)30-19/h8-11,19-22,33H,4-7,12-16H2,1-3H3,(H2,28,34)(H,29,35)(H,30,36)(H,31,37)/t19-,20?,21+,22+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366457
(CHEMBL1790651)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H]1Cc2ccc(OCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C41H58N8O10/c1-5-23(4)36(41(58)47-35(22(2)3)37(43)54)48-40(57)31-7-6-16-49(31)20-32(51)28-17-25-10-14-27(15-11-25)59-21-34(53)44-29(18-24-8-12-26(50)13-9-24)38(55)46-30(19-33(42)52)39(56)45-28/h8-15,22-23,28-32,35-36,50-51H,5-7,16-21H2,1-4H3,(H2,42,52)(H2,43,54)(H,44,53)(H,45,56)(H,46,55)(H,47,58)(H,48,57)/t23-,28+,29-,30-,31-,32+,35-,36-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366460
(CHEMBL1790645)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H]1Cc2ccc(OCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C34H52N8O9/c1-5-19(4)30(34(50)40-29(18(2)3)31(36)47)41-33(49)24-7-6-12-42(24)16-25(43)22-13-20-8-10-21(11-9-20)51-17-28(46)37-15-27(45)38-23(14-26(35)44)32(48)39-22/h8-11,18-19,22-25,29-30,43H,5-7,12-17H2,1-4H3,(H2,35,44)(H2,36,47)(H,37,46)(H,38,45)(H,39,48)(H,40,50)(H,41,49)/t19-,22+,23-,24-,25+,29-,30-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366455
(CHEMBL1790655)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@@H]1CSSC[C@@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C31H53N9O9S2/c1-6-16(4)26(31(49)38-25(15(2)3)27(33)45)39-30(48)21-8-7-9-40(21)12-22(42)19-13-50-51-14-20(35-17(5)41)28(46)34-11-24(44)36-18(10-23(32)43)29(47)37-19/h15-16,18-22,25-26,42H,6-14H2,1-5H3,(H2,32,43)(H2,33,45)(H,34,46)(H,35,41)(H,36,44)(H,37,47)(H,38,49)(H,39,48)/t16-,18-,19-,20+,21-,22-,25-,26-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366463
(CHEMBL1790673)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H]1Cc2ccc(OCCCC(=O)NC(CC(N)=O)C(=O)N1)cc2)C(N)=O Show InChI InChI=1S/C29H44N6O7/c1-3-17(2)26(27(31)39)34-29(41)22-6-4-12-35(22)16-23(36)20-14-18-8-10-19(11-9-18)42-13-5-7-25(38)32-21(15-24(30)37)28(40)33-20/h8-11,17,20-23,26,36H,3-7,12-16H2,1-2H3,(H2,30,37)(H2,31,39)(H,32,38)(H,33,40)(H,34,41)/t17-,20+,21?,22-,23-,26-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288196
(2-((S)-11-{2-[(tert-Butylcarbamoyl-methyl)-isobuty...)Show SMILES CC(C)CN(C[C@@H](O)[C@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)CC(=O)NC(C)(C)C Show InChI InChI=1S/C28H45N5O6/c1-18(2)15-33(17-26(37)32-28(3,4)5)16-23(34)21-13-19-8-10-20(11-9-19)39-12-6-7-25(36)30-22(14-24(29)35)27(38)31-21/h8-11,18,21-23,34H,6-7,12-17H2,1-5H3,(H2,29,35)(H,30,36)(H,31,38)(H,32,37)/t21-,22+,23-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288180
(2-((S)-11-{2-[Benzyl-(tert-butylcarbamoyl-methyl)-...)Show SMILES CC(C)CN(C[C@H](O)[C@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)CC(=O)NC(C)(C)C Show InChI InChI=1S/C28H45N5O6/c1-18(2)15-33(17-26(37)32-28(3,4)5)16-23(34)21-13-19-8-10-20(11-9-19)39-12-6-7-25(36)30-22(14-24(29)35)27(38)31-21/h8-11,18,21-23,34H,6-7,12-17H2,1-5H3,(H2,29,35)(H,30,36)(H,31,38)(H,32,37)/t21-,22+,23+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288197
(2-((S)-11-{2-[Benzyl-(tert-butylcarbamoyl-methyl)-...)Show SMILES CC(C)(C)NC(=O)CN(C[C@@H](O)[C@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)Cc1ccccc1 Show InChI InChI=1S/C31H43N5O6/c1-31(2,3)35-29(40)20-36(18-22-8-5-4-6-9-22)19-26(37)24-16-21-11-13-23(14-12-21)42-15-7-10-28(39)33-25(17-27(32)38)30(41)34-24/h4-6,8-9,11-14,24-26,37H,7,10,15-20H2,1-3H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)/t24-,25+,26-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366465
(CHEMBL1790672)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H]1Cc2ccc(OCCCC(=O)NC(CC(N)=O)C(=O)N1)cc2)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C34H53N7O8/c1-5-20(4)30(34(48)39-29(19(2)3)31(36)45)40-33(47)25-8-6-14-41(25)18-26(42)23-16-21-10-12-22(13-11-21)49-15-7-9-28(44)37-24(17-27(35)43)32(46)38-23/h10-13,19-20,23-26,29-30,42H,5-9,14-18H2,1-4H3,(H2,35,43)(H2,36,45)(H,37,44)(H,38,46)(H,39,48)(H,40,47)/t20-,23+,24?,25-,26+,29-,30-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288177
(2-[2-((S)-8-Carbamoylmethyl-6,9-dioxo-2-oxa-7,10-d...)Show SMILES CC(C)CNC(=O)[C@H](Cc1ccccc1)NCC(O)[C@H]1Cc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2 Show InChI InChI=1S/C32H46N4O5/c1-21(2)19-34-31(39)27(18-23-9-6-5-7-10-23)33-20-28(37)26-17-24-12-14-25(15-13-24)41-16-8-11-29(38)36-30(22(3)4)32(40)35-26/h5-7,9-10,12-15,21-22,26-28,30,33,37H,8,11,16-20H2,1-4H3,(H,34,39)(H,35,40)(H,36,38)/t26-,27+,28?,30+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50369800
(CHEMBL1232357)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC(=O)[C@@H]1Cc2ccc(OCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2 Show InChI InChI=1S/C37H51N5O7/c1-5-24(4)33-36(46)38-18-8-20-49-28-16-12-26(13-17-28)22-30(35(45)42-33)39-34(44)29-21-25-10-14-27(15-11-25)48-19-7-6-9-31(43)41-32(23(2)3)37(47)40-29/h10-17,23-24,29-30,32-33H,5-9,18-22H2,1-4H3,(H,38,46)(H,39,44)(H,40,47)(H,41,43)(H,42,45)/t24-,29-,30-,32-,33-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
binding affinity towards HIV-1 Protease enzyme |
J Med Chem 43: 1271-81 (2001)
BindingDB Entry DOI: 10.7270/Q23779F5 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288171
(1-[2-((S)-8-Carbamoylmethyl-6,9-dioxo-2-oxa-7,10-d...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@H](O)[C@H]1Cc2ccc(OCCCC(=O)NC(CC(N)=O)C(=O)N1)cc2 Show InChI InChI=1S/C28H43N5O6/c1-28(2,3)32-27(38)22-7-4-5-13-33(22)17-23(34)20-15-18-9-11-19(12-10-18)39-14-6-8-25(36)30-21(16-24(29)35)26(37)31-20/h9-12,20-23,34H,4-8,13-17H2,1-3H3,(H2,29,35)(H,30,36)(H,31,37)(H,32,38)/t20-,21?,22+,23+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366454
(CHEMBL1790670)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H]1Cc2ccc(OCCCC(=O)NC(CC(N)=O)C(=O)N1)cc2)C(N)=O Show InChI InChI=1S/C29H44N6O7/c1-3-17(2)26(27(31)39)34-29(41)22-6-4-12-35(22)16-23(36)20-14-18-8-10-19(11-9-18)42-13-5-7-25(38)32-21(15-24(30)37)28(40)33-20/h8-11,17,20-23,26,36H,3-7,12-16H2,1-2H3,(H2,30,37)(H2,31,39)(H,32,38)(H,33,40)(H,34,41)/t17-,20+,21?,22-,23+,26-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288186
(2-[2-((S)-8-Carbamoylmethyl-6,9-dioxo-2-oxa-7,10-d...)Show SMILES CC(C)NC(=O)[C@H](Cc1ccccc1)NCC(O)[C@H]1Cc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2 Show InChI InChI=1S/C31H44N4O5/c1-20(2)29-31(39)34-25(17-23-12-14-24(15-13-23)40-16-8-11-28(37)35-29)27(36)19-32-26(30(38)33-21(3)4)18-22-9-6-5-7-10-22/h5-7,9-10,12-15,20-21,25-27,29,32,36H,8,11,16-19H2,1-4H3,(H,33,38)(H,34,39)(H,35,37)/t25-,26+,27?,29+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288175
(CHEMBL431219 | N-tert-Butyl-2-[2-((S)-8-carbamoylm...)Show SMILES CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NCC(O)[C@@H]1Cc2ccc(OCCCC(=O)NC(CC(N)=O)C(=O)N1)cc2 Show InChI InChI=1S/C31H43N5O6/c1-31(2,3)36-30(41)24(17-20-8-5-4-6-9-20)33-19-26(37)23-16-21-11-13-22(14-12-21)42-15-7-10-28(39)34-25(18-27(32)38)29(40)35-23/h4-6,8-9,11-14,23-26,33,37H,7,10,15-19H2,1-3H3,(H2,32,38)(H,34,39)(H,35,40)(H,36,41)/t23-,24-,25?,26?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288170
(2-((S)-11-{2-[Benzenesulfonyl-(3-methyl-butyl)-ami...)Show SMILES CC(C)(C)NC(=O)CN(C[C@H](O)[C@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)Cc1ccccc1 Show InChI InChI=1S/C31H43N5O6/c1-31(2,3)35-29(40)20-36(18-22-8-5-4-6-9-22)19-26(37)24-16-21-11-13-23(14-12-21)42-15-7-10-28(39)33-25(17-27(32)38)30(41)34-24/h4-6,8-9,11-14,24-26,37H,7,10,15-20H2,1-3H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)/t24-,25+,26+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288188
(1-[2-((S)-8-Carbamoylmethyl-6,9-dioxo-2-oxa-7,10-d...)Show SMILES NC(=O)CC1NC(=O)CCCOc2ccc(C[C@@H](NC1=O)[C@H](O)CN1CCC[C@H]1C(N)=O)cc2 Show InChI InChI=1S/C23H33N5O6/c24-20(30)12-17-23(33)27-16(19(29)13-28-9-1-3-18(28)22(25)32)11-14-5-7-15(8-6-14)34-10-2-4-21(31)26-17/h5-8,16-19,29H,1-4,9-13H2,(H2,24,30)(H2,25,32)(H,26,31)(H,27,33)/t16-,17?,18+,19-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50288181
(1-[2-((S)-8-Carbamoylmethyl-6,9-dioxo-2-oxa-7,10-d...)Show SMILES CC(C)N(C(C)C)C(=O)[C@@H]1CCCN1C[C@@H](O)[C@H]1Cc2ccc(OCCCC(=O)NC(CC(N)=O)C(=O)N1)cc2 Show InChI InChI=1S/C29H45N5O6/c1-18(2)34(19(3)4)29(39)24-7-5-13-33(24)17-25(35)22-15-20-9-11-21(12-10-20)40-14-6-8-27(37)31-23(16-26(30)36)28(38)32-22/h9-12,18-19,22-25,35H,5-8,13-17H2,1-4H3,(H2,30,36)(H,31,37)(H,32,38)/t22-,23?,24+,25-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366464
(CHEMBL1790656)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@@H]1CSSC[C@@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C31H53N9O9S2/c1-6-16(4)26(31(49)38-25(15(2)3)27(33)45)39-30(48)21-8-7-9-40(21)12-22(42)19-13-50-51-14-20(35-17(5)41)28(46)34-11-24(44)36-18(10-23(32)43)29(47)37-19/h15-16,18-22,25-26,42H,6-14H2,1-5H3,(H2,32,43)(H2,33,45)(H,34,46)(H,35,41)(H,36,44)(H,37,47)(H,38,49)(H,39,48)/t16-,18-,19-,20+,21-,22+,25-,26-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 6: 2531-2536 (1996)
Article DOI: 10.1016/0960-894X(96)00468-4
BindingDB Entry DOI: 10.7270/Q2S1830C |
More data for this
Ligand-Target Pair | |
Search and Browse
