Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50004318 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 |
|---|
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50481584
(CHEMBL589988 | GRL-0355)Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C |r| Show InChI InChI=1S/C31H39N3O7S/c1-19-9-7-8-12-21(19)16-32-27(36)26-31(2,3)42-18-34(26)28(37)25(35)23(15-20-10-5-4-6-11-20)33-30(38)41-24-17-40-29-22(24)13-14-39-29/h4-12,22-26,29,35H,13-18H2,1-3H3,(H,32,36)(H,33,38)/t22-,23-,24-,25-,26+,29+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.00520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease |
Bioorg Med Chem Lett 20: 1241-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.123
BindingDB Entry DOI: 10.7270/Q2CJ8HB8 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM8125
((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease |
Bioorg Med Chem Lett 20: 1241-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.123
BindingDB Entry DOI: 10.7270/Q2CJ8HB8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50481586
(CHEMBL604931)Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C29H37N3O6S/c1-19-9-7-8-12-21(19)16-30-26(34)25-29(2,3)39-18-32(25)27(35)24(33)23(15-20-10-5-4-6-11-20)31-28(36)38-22-13-14-37-17-22/h4-12,22-25,33H,13-18H2,1-3H3,(H,30,34)(H,31,36)/t22-,23-,24-,25+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease |
Bioorg Med Chem Lett 20: 1241-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.123
BindingDB Entry DOI: 10.7270/Q2CJ8HB8 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50481579
(CHEMBL601049)Show SMILES [H][C@@]12CCO[C@]1([H])C[C@@H](C2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C |r| Show InChI InChI=1S/C32H41N3O6S/c1-20-9-7-8-12-23(20)18-33-29(37)28-32(2,3)42-19-35(28)30(38)27(36)25(15-21-10-5-4-6-11-21)34-31(39)41-24-16-22-13-14-40-26(22)17-24/h4-12,22,24-28,36H,13-19H2,1-3H3,(H,33,37)(H,34,39)/t22-,24+,25-,26+,27-,28+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease |
Bioorg Med Chem Lett 20: 1241-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.123
BindingDB Entry DOI: 10.7270/Q2CJ8HB8 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50481582
(CHEMBL601052)Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccc(CO)cc1C |r| Show InChI InChI=1S/C32H41N3O8S/c1-19-13-21(16-36)9-10-22(19)15-33-28(38)27-32(2,3)44-18-35(27)29(39)26(37)24(14-20-7-5-4-6-8-20)34-31(40)43-25-17-42-30-23(25)11-12-41-30/h4-10,13,23-27,30,36-37H,11-12,14-18H2,1-3H3,(H,33,38)(H,34,40)/t23-,24-,25-,26-,27+,30+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease |
Bioorg Med Chem Lett 20: 1241-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.123
BindingDB Entry DOI: 10.7270/Q2CJ8HB8 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50481583
(CHEMBL601050)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])OCO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C |r| Show InChI InChI=1S/C31H39N3O7S/c1-19-9-7-8-12-21(19)16-32-28(36)27-31(2,3)42-17-34(27)29(37)26(35)23(13-20-10-5-4-6-11-20)33-30(38)41-22-14-24-25(15-22)40-18-39-24/h4-12,22-27,35H,13-18H2,1-3H3,(H,32,36)(H,33,38)/t22-,23-,24+,25-,26-,27+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease |
Bioorg Med Chem Lett 20: 1241-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.123
BindingDB Entry DOI: 10.7270/Q2CJ8HB8 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50481587
(CHEMBL599785)Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOCOC1 |r| Show InChI InChI=1S/C30H39N3O7S/c1-20-9-7-8-12-22(20)16-31-27(35)26-30(2,3)41-18-33(26)28(36)25(34)24(15-21-10-5-4-6-11-21)32-29(37)40-23-13-14-38-19-39-17-23/h4-12,23-26,34H,13-19H2,1-3H3,(H,31,35)(H,32,37)/t23-,24+,25+,26-/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease |
Bioorg Med Chem Lett 20: 1241-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.123
BindingDB Entry DOI: 10.7270/Q2CJ8HB8 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50481581
(CHEMBL601051)Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccc(N)cc1C |r| Show InChI InChI=1S/C31H40N4O7S/c1-18-13-21(32)10-9-20(18)15-33-27(37)26-31(2,3)43-17-35(26)28(38)25(36)23(14-19-7-5-4-6-8-19)34-30(39)42-24-16-41-29-22(24)11-12-40-29/h4-10,13,22-26,29,36H,11-12,14-17,32H2,1-3H3,(H,33,37)(H,34,39)/t22-,23-,24-,25-,26+,29+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease |
Bioorg Med Chem Lett 20: 1241-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.123
BindingDB Entry DOI: 10.7270/Q2CJ8HB8 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50481578
(CHEMBL589989)Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccc(OC)cc1C |r| Show InChI InChI=1S/C32H41N3O8S/c1-19-14-22(40-4)11-10-21(19)16-33-28(37)27-32(2,3)44-18-35(27)29(38)26(36)24(15-20-8-6-5-7-9-20)34-31(39)43-25-17-42-30-23(25)12-13-41-30/h5-11,14,23-27,30,36H,12-13,15-18H2,1-4H3,(H,33,37)(H,34,39)/t23-,24-,25-,26-,27+,30+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease |
Bioorg Med Chem Lett 20: 1241-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.123
BindingDB Entry DOI: 10.7270/Q2CJ8HB8 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50481580
(CHEMBL601048)Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C |r| Show InChI InChI=1S/C31H41N3O6S/c1-20-9-7-8-12-22(20)16-32-28(36)27-31(2,3)41-19-34(27)17-25(35)24(15-21-10-5-4-6-11-21)33-30(37)40-26-18-39-29-23(26)13-14-38-29/h4-12,23-27,29,35H,13-19H2,1-3H3,(H,32,36)(H,33,37)/t23-,24-,25+,26-,27+,29+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease |
Bioorg Med Chem Lett 20: 1241-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.123
BindingDB Entry DOI: 10.7270/Q2CJ8HB8 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50481585
(CHEMBL603666)Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)CSC1(C)C |r| Show InChI InChI=1S/C29H39N3O5S/c1-20-9-7-8-12-22(20)16-30-27(34)26-29(2,3)38-19-32(26)17-25(33)24(15-21-10-5-4-6-11-21)31-28(35)37-23-13-14-36-18-23/h4-12,23-26,33H,13-19H2,1-3H3,(H,30,34)(H,31,35)/t23-,24-,25+,26+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease |
Bioorg Med Chem Lett 20: 1241-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.123
BindingDB Entry DOI: 10.7270/Q2CJ8HB8 |
More data for this
Ligand-Target Pair | |
Search and Browse
