Found 3 hits in this display 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) | BDBM50545792
(CHEMBL4639819)Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C32H43N3O8/c1-20(2)28(35-31(38)40-3)29(37)34-25(17-22-12-8-5-9-13-22)26(36)18-23(16-21-10-6-4-7-11-21)33-32(39)43-27-19-42-30-24(27)14-15-41-30/h4-13,20,23-28,30,36H,14-19H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)/t23-,24-,25-,26-,27-,28-,30+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 0.0740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School
Curated by ChEMBL
| Assay Description Inhibition of HIV1 NL4-3 protease expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protease cleavage ... |
J Med Chem 63: 8296-8313 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00529 BindingDB Entry DOI: 10.7270/Q2959N46 |
More data for this Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50545792
(CHEMBL4639819)Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C32H43N3O8/c1-20(2)28(35-31(38)40-3)29(37)34-25(17-22-12-8-5-9-13-22)26(36)18-23(16-21-10-6-4-7-11-21)33-32(39)43-27-19-42-30-24(27)14-15-41-30/h4-13,20,23-28,30,36H,14-19H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)/t23-,24-,25-,26-,27-,28-,30+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 0.295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School
Curated by ChEMBL
| Assay Description Inhibition of HIV1 NL4-3 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing p... |
J Med Chem 63: 8296-8313 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00529 BindingDB Entry DOI: 10.7270/Q2959N46 |
More data for this Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50545792
(CHEMBL4639819)Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C32H43N3O8/c1-20(2)28(35-31(38)40-3)29(37)34-25(17-22-12-8-5-9-13-22)26(36)18-23(16-21-10-6-4-7-11-21)33-32(39)43-27-19-42-30-24(27)14-15-41-30/h4-13,20,23-28,30,36H,14-19H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)/t23-,24-,25-,26-,27-,28-,30+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 0.302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School
Curated by ChEMBL
| Assay Description Inhibition of HIV1 NL4-3 protease I84V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protea... |
J Med Chem 63: 8296-8313 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00529 BindingDB Entry DOI: 10.7270/Q2959N46 |
More data for this Ligand-Target Pair | |