Found 28 hits Enz. Inhib. hit(s) with all data for entry = 5773 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 |
|---|
HIV-1 protease
(Human immunodeficiency virus) | BDBM93250
(HIV-1 Protease Inhibitor, 7g)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)NCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C48H60N6O10/c1-29(2)37(45(59)49-5)53-47(61)41(63-27-33-19-13-21-35(23-33)43(57)51-25-31-15-9-7-10-16-31)39(55)40(56)42(48(62)54-38(30(3)4)46(60)50-6)64-28-34-20-14-22-36(24-34)44(58)52-26-32-17-11-8-12-18-32/h7-24,29-30,37-42,55-56H,25-28H2,1-6H3,(H,49,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t37-,38-,39+,40+,41+,42+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93250
(HIV-1 Protease Inhibitor, 7g)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)NCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C48H60N6O10/c1-29(2)37(45(59)49-5)53-47(61)41(63-27-33-19-13-21-35(23-33)43(57)51-25-31-15-9-7-10-16-31)39(55)40(56)42(48(62)54-38(30(3)4)46(60)50-6)64-28-34-20-14-22-36(24-34)44(58)52-26-32-17-11-8-12-18-32/h7-24,29-30,37-42,55-56H,25-28H2,1-6H3,(H,49,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t37-,38-,39+,40+,41+,42+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93245
(HIV-1 Protease Inhibitor, 7b)Show SMILES CCCCNC(=O)c1cccc(CO[C@H]([C@H](O)[C@@H](O)[C@@H](OCc2cccc(c2)C(=O)NCCCC)C(=O)N[C@@H](C(C)C)C(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)NC)c1 |r| Show InChI InChI=1S/C42H64N6O10/c1-9-11-19-45-37(51)29-17-13-15-27(21-29)23-57-35(41(55)47-31(25(3)4)39(53)43-7)33(49)34(50)36(42(56)48-32(26(5)6)40(54)44-8)58-24-28-16-14-18-30(22-28)38(52)46-20-12-10-2/h13-18,21-22,25-26,31-36,49-50H,9-12,19-20,23-24H2,1-8H3,(H,43,53)(H,44,54)(H,45,51)(H,46,52)(H,47,55)(H,48,56)/t31-,32-,33+,34+,35+,36+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93241
(HIV-1 Protease Inhibitor, 6l)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1cccc(Cl)c1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C46H54Cl2N6O10/c1-25(2)35(43(59)49-5)53-45(61)39(63-23-27-13-7-9-19-33(27)41(57)51-31-17-11-15-29(47)21-31)37(55)38(56)40(46(62)54-36(26(3)4)44(60)50-6)64-24-28-14-8-10-20-34(28)42(58)52-32-18-12-16-30(48)22-32/h7-22,25-26,35-40,55-56H,23-24H2,1-6H3,(H,49,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t35-,36-,37+,38+,39+,40+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93245
(HIV-1 Protease Inhibitor, 7b)Show SMILES CCCCNC(=O)c1cccc(CO[C@H]([C@H](O)[C@@H](O)[C@@H](OCc2cccc(c2)C(=O)NCCCC)C(=O)N[C@@H](C(C)C)C(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)NC)c1 |r| Show InChI InChI=1S/C42H64N6O10/c1-9-11-19-45-37(51)29-17-13-15-27(21-29)23-57-35(41(55)47-31(25(3)4)39(53)43-7)33(49)34(50)36(42(56)48-32(26(5)6)40(54)44-8)58-24-28-16-14-18-30(22-28)38(52)46-20-12-10-2/h13-18,21-22,25-26,31-36,49-50H,9-12,19-20,23-24H2,1-8H3,(H,43,53)(H,44,54)(H,45,51)(H,46,52)(H,47,55)(H,48,56)/t31-,32-,33+,34+,35+,36+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93249
(HIV-1 Protease Inhibitor, 7f)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)Nc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)Nc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C46H56N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-15-13-17-31(23-29)41(55)49-33-19-9-7-10-20-33)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-16-14-18-32(24-30)42(56)50-34-21-11-8-12-22-34/h7-24,27-28,35-40,53-54H,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93237
(HIV-1 Protease Inhibitor, 6h)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C46H56N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-17-13-15-23-33(29)41(55)49-31-19-9-7-10-20-31)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-18-14-16-24-34(30)42(56)50-32-21-11-8-12-22-32/h7-24,27-28,35-40,53-54H,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93241
(HIV-1 Protease Inhibitor, 6l)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1cccc(Cl)c1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C46H54Cl2N6O10/c1-25(2)35(43(59)49-5)53-45(61)39(63-23-27-13-7-9-19-33(27)41(57)51-31-17-11-15-29(47)21-31)37(55)38(56)40(46(62)54-36(26(3)4)44(60)50-6)64-24-28-14-8-10-20-34(28)42(58)52-32-18-12-16-30(48)22-32/h7-22,25-26,35-40,55-56H,23-24H2,1-6H3,(H,49,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t35-,36-,37+,38+,39+,40+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93237
(HIV-1 Protease Inhibitor, 6h)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C46H56N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-17-13-15-23-33(29)41(55)49-31-19-9-7-10-20-31)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-18-14-16-24-34(30)42(56)50-32-21-11-8-12-22-32/h7-24,27-28,35-40,53-54H,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93248
(HIV-1 Protease Inhibitor, 7e)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)NC1CCCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)NC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C46H68N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-15-13-17-31(23-29)41(55)49-33-19-9-7-10-20-33)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-16-14-18-32(24-30)42(56)50-34-21-11-8-12-22-34/h13-18,23-24,27-28,33-40,53-54H,7-12,19-22,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93244
(HIV-1 Protease Inhibitor, 7a)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)NC)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C36H52N6O10/c1-19(2)25(33(47)39-7)41-35(49)29(51-17-21-11-9-13-23(15-21)31(45)37-5)27(43)28(44)30(36(50)42-26(20(3)4)34(48)40-8)52-18-22-12-10-14-24(16-22)32(46)38-6/h9-16,19-20,25-30,43-44H,17-18H2,1-8H3,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,42,50)/t25-,26-,27+,28+,29+,30+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93238
(HIV-1 Protease Inhibitor, 6i)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1cccnc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1cccnc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C44H54N8O10/c1-25(2)33(41(57)45-5)51-43(59)37(61-23-27-13-7-9-17-31(27)39(55)49-29-15-11-19-47-21-29)35(53)36(54)38(44(60)52-34(26(3)4)42(58)46-6)62-24-28-14-8-10-18-32(28)40(56)50-30-16-12-20-48-22-30/h7-22,25-26,33-38,53-54H,23-24H2,1-6H3,(H,45,57)(H,46,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t33-,34-,35+,36+,37+,38+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93238
(HIV-1 Protease Inhibitor, 6i)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1cccnc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1cccnc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C44H54N8O10/c1-25(2)33(41(57)45-5)51-43(59)37(61-23-27-13-7-9-17-31(27)39(55)49-29-15-11-19-47-21-29)35(53)36(54)38(44(60)52-34(26(3)4)42(58)46-6)62-24-28-14-8-10-18-32(28)40(56)50-30-16-12-20-48-22-30/h7-22,25-26,33-38,53-54H,23-24H2,1-6H3,(H,45,57)(H,46,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t33-,34-,35+,36+,37+,38+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 118 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93235
(HIV-1 Protease Inhibitor, 6f)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)NC1CCCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)NC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C46H68N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-17-13-15-23-33(29)41(55)49-31-19-9-7-10-20-31)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-18-14-16-24-34(30)42(56)50-32-21-11-8-12-22-32/h13-18,23-24,27-28,31-32,35-40,53-54H,7-12,19-22,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 196 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93246
(HIV-1 Protease Inhibitor, 7c)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)N1CCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)N1CCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C42H60N6O10/c1-25(2)31(37(51)43-5)45-39(53)35(57-23-27-13-11-15-29(21-27)41(55)47-17-7-8-18-47)33(49)34(50)36(40(54)46-32(26(3)4)38(52)44-6)58-24-28-14-12-16-30(22-28)42(56)48-19-9-10-20-48/h11-16,21-22,25-26,31-36,49-50H,7-10,17-20,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t31-,32-,33+,34+,35+,36+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93240
(HIV-1 Protease Inhibitor, 6k)Show SMILES CCOC(=O)c1ccc(NC(=O)c2ccccc2CO[C@H]([C@H](O)[C@@H](O)[C@@H](OCc2ccccc2C(=O)Nc2ccc(cc2)C(=O)OCC)C(=O)N[C@@H](C(C)C)C(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)NC)cc1 |r| Show InChI InChI=1S/C52H64N6O14/c1-9-69-51(67)31-19-23-35(24-20-31)55-45(61)37-17-13-11-15-33(37)27-71-43(49(65)57-39(29(3)4)47(63)53-7)41(59)42(60)44(50(66)58-40(30(5)6)48(64)54-8)72-28-34-16-12-14-18-38(34)46(62)56-36-25-21-32(22-26-36)52(68)70-10-2/h11-26,29-30,39-44,59-60H,9-10,27-28H2,1-8H3,(H,53,63)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,58,66)/t39-,40-,41+,42+,43+,44+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93235
(HIV-1 Protease Inhibitor, 6f)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)NC1CCCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)NC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C46H68N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-17-13-15-23-33(29)41(55)49-31-19-9-7-10-20-31)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-18-14-16-24-34(30)42(56)50-32-21-11-8-12-22-32/h13-18,23-24,27-28,31-32,35-40,53-54H,7-12,19-22,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93247
(HIV-1 Protease Inhibitor, 7d)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)N1CCOCC1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)N1CCOCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C42H60N6O12/c1-25(2)31(37(51)43-5)45-39(53)35(59-23-27-9-7-11-29(21-27)41(55)47-13-17-57-18-14-47)33(49)34(50)36(40(54)46-32(26(3)4)38(52)44-6)60-24-28-10-8-12-30(22-28)42(56)48-15-19-58-20-16-48/h7-12,21-22,25-26,31-36,49-50H,13-20,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t31-,32-,33+,34+,35+,36+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93233
(HIV-1 Protease Inhibitor, 6d)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)N1CCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)N1CCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C42H60N6O10/c1-25(2)31(37(51)43-5)45-39(53)35(57-23-27-15-7-9-17-29(27)41(55)47-19-11-12-20-47)33(49)34(50)36(40(54)46-32(26(3)4)38(52)44-6)58-24-28-16-8-10-18-30(28)42(56)48-21-13-14-22-48/h7-10,15-18,25-26,31-36,49-50H,11-14,19-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t31-,32-,33+,34+,35+,36+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93232
(HIV-1 Protease Inhibitor, 6c)Show SMILES CCCCNC(=O)c1ccccc1CO[C@H]([C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)NCCCC)C(=O)N[C@@H](C(C)C)C(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)NC |r| Show InChI InChI=1S/C42H64N6O10/c1-9-11-21-45-37(51)29-19-15-13-17-27(29)23-57-35(41(55)47-31(25(3)4)39(53)43-7)33(49)34(50)36(42(56)48-32(26(5)6)40(54)44-8)58-24-28-18-14-16-20-30(28)38(52)46-22-12-10-2/h13-20,25-26,31-36,49-50H,9-12,21-24H2,1-8H3,(H,43,53)(H,44,54)(H,45,51)(H,46,52)(H,47,55)(H,48,56)/t31-,32-,33+,34+,35+,36+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93236
(HIV-1 Protease Inhibitor, 6g)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1nccs1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1nccs1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C40H50N8O10S2/c1-21(2)27(35(53)41-5)45-37(55)31(57-19-23-11-7-9-13-25(23)33(51)47-39-43-15-17-59-39)29(49)30(50)32(38(56)46-28(22(3)4)36(54)42-6)58-20-24-12-8-10-14-26(24)34(52)48-40-44-16-18-60-40/h7-18,21-22,27-32,49-50H,19-20H2,1-6H3,(H,41,53)(H,42,54)(H,45,55)(H,46,56)(H,43,47,51)(H,44,48,52)/t27-,28-,29+,30+,31+,32+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93231
(HIV-1 Protease Inhibitor, 6b)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)NC(C)(C)C)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)NC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C42H64N6O10/c1-23(2)29(37(53)43-11)45-39(55)33(57-21-25-17-13-15-19-27(25)35(51)47-41(5,6)7)31(49)32(50)34(40(56)46-30(24(3)4)38(54)44-12)58-22-26-18-14-16-20-28(26)36(52)48-42(8,9)10/h13-20,23-24,29-34,49-50H,21-22H2,1-12H3,(H,43,53)(H,44,54)(H,45,55)(H,46,56)(H,47,51)(H,48,52)/t29-,30-,31+,32+,33+,34+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93239
(HIV-1 Protease Inhibitor, 6j)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)N1CCc2ccccc12)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)N1CCc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C50H60N6O10/c1-29(2)39(45(59)51-5)53-47(61)43(65-27-33-17-7-11-19-35(33)49(63)55-25-23-31-15-9-13-21-37(31)55)41(57)42(58)44(48(62)54-40(30(3)4)46(60)52-6)66-28-34-18-8-12-20-36(34)50(64)56-26-24-32-16-10-14-22-38(32)56/h7-22,29-30,39-44,57-58H,23-28H2,1-6H3,(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t39-,40-,41+,42+,43+,44+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93243
(HIV-1 Protease Inhibitor, 6n)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1cccc2cnccc12)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1cccc2cnccc12)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C52H58N8O10/c1-29(2)41(49(65)53-5)59-51(67)45(69-27-33-13-7-9-17-37(33)47(63)57-39-19-11-15-31-25-55-23-21-35(31)39)43(61)44(62)46(52(68)60-42(30(3)4)50(66)54-6)70-28-34-14-8-10-18-38(34)48(64)58-40-20-12-16-32-26-56-24-22-36(32)40/h7-26,29-30,41-46,61-62H,27-28H2,1-6H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)(H,59,67)(H,60,68)/t41-,42-,43+,44+,45+,46+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93242
(HIV-1 Protease Inhibitor, 6m)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)NCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C48H60N6O10/c1-29(2)37(45(59)49-5)53-47(61)41(63-27-33-21-13-15-23-35(33)43(57)51-25-31-17-9-7-10-18-31)39(55)40(56)42(48(62)54-38(30(3)4)46(60)50-6)64-28-34-22-14-16-24-36(34)44(58)52-26-32-19-11-8-12-20-32/h7-24,29-30,37-42,55-56H,25-28H2,1-6H3,(H,49,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t37-,38-,39+,40+,41+,42+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93242
(HIV-1 Protease Inhibitor, 6m)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)NCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C48H60N6O10/c1-29(2)37(45(59)49-5)53-47(61)41(63-27-33-21-13-15-23-35(33)43(57)51-25-31-17-9-7-10-18-31)39(55)40(56)42(48(62)54-38(30(3)4)46(60)50-6)64-28-34-22-14-16-24-36(34)44(58)52-26-32-19-11-8-12-20-32/h7-24,29-30,37-42,55-56H,25-28H2,1-6H3,(H,49,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t37-,38-,39+,40+,41+,42+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93234
(HIV-1 Protease Inhibitor, 6e)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)N1CCOCC1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)N1CCOCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C42H60N6O12/c1-25(2)31(37(51)43-5)45-39(53)35(59-23-27-11-7-9-13-29(27)41(55)47-15-19-57-20-16-47)33(49)34(50)36(40(54)46-32(26(3)4)38(52)44-6)60-24-28-12-8-10-14-30(28)42(56)48-17-21-58-22-18-48/h7-14,25-26,31-36,49-50H,15-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t31-,32-,33+,34+,35+,36+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93230
(HIV-1 Protease Inhibitor, 6a)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)NC)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C36H52N6O10/c1-19(2)25(33(47)39-7)41-35(49)29(51-17-21-13-9-11-15-23(21)31(45)37-5)27(43)28(44)30(36(50)42-26(20(3)4)34(48)40-8)52-18-22-14-10-12-16-24(22)32(46)38-6/h9-16,19-20,25-30,43-44H,17-18H2,1-8H3,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,42,50)/t25-,26-,27+,28+,29+,30+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description
Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this
Ligand-Target Pair | |
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