BDBM50476647 CHEMBL178593::GRL-98065
SMILES: [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1
InChI Key: InChIKey=HNEIRZJZTYYDES-VPZBFSRCSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50476647 (CHEMBL178593 | GRL-98065) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of wild type HIV1 protease | J Med Chem 50: 4509-15 (2007) Article DOI: 10.1021/jm070482q BindingDB Entry DOI: 10.7270/Q21G0Q1W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM50476647 (CHEMBL178593 | GRL-98065) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease V82A mutant | J Med Chem 50: 4509-15 (2007) Article DOI: 10.1021/jm070482q BindingDB Entry DOI: 10.7270/Q21G0Q1W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM50476647 (CHEMBL178593 | GRL-98065) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease I84V mutant | J Med Chem 50: 4509-15 (2007) Article DOI: 10.1021/jm070482q BindingDB Entry DOI: 10.7270/Q21G0Q1W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM50476647 (CHEMBL178593 | GRL-98065) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease I50V mutant | J Med Chem 50: 4509-15 (2007) Article DOI: 10.1021/jm070482q BindingDB Entry DOI: 10.7270/Q21G0Q1W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM50476647 (CHEMBL178593 | GRL-98065) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease D30N mutant | J Med Chem 50: 4509-15 (2007) Article DOI: 10.1021/jm070482q BindingDB Entry DOI: 10.7270/Q21G0Q1W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50476647 (CHEMBL178593 | GRL-98065) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Graduate School of Medical and Pharmaceutical Sciences Curated by ChEMBL | Assay Description Inhibition of HIV1 protease dimerization in MT2 cells | J Biol Chem 282: 28709-20 (2007) Article DOI: 10.1074/jbc.m703938200 BindingDB Entry DOI: 10.7270/Q2JS9T6J | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |