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 (92/99 = 93%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0000570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of HIV1 protease by fluorescent peptide substrate based assay | Antimicrob Agents Chemother 51: 3147-54 (2007) Article DOI: 10.1128/aac.00401-07 BindingDB Entry DOI: 10.7270/Q23R0WPV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (92/99 = 93%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.00700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Inhibition of wild type HIV1 protease by FRET assay | J Med Chem 55: 6328-41 (2012) Article DOI: 10.1021/jm300238h BindingDB Entry DOI: 10.7270/Q28G8PKV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (92/99 = 93%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of HIV1 protease | Antimicrob Agents Chemother 51: 3147-54 (2007) Article DOI: 10.1128/aac.00401-07 BindingDB Entry DOI: 10.7270/Q23R0WPV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (93/99 = 94%)† (Human immunodeficiency virus type 1) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc Curated by ChEMBL | Assay Description Binding affinity to HIV-1 protease was determined | Bioorg Med Chem Lett 8: 3631-6 (1999) BindingDB Entry DOI: 10.7270/Q2MC8Z5V | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (92/99 = 93%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic Curated by ChEMBL | Assay Description Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay | J Med Chem 51: 4839-43 (2008) Article DOI: 10.1021/jm8002334 BindingDB Entry DOI: 10.7270/Q24B344W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (92/99 = 93%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.359 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL | Assay Description Inhibition of HIV1 protease | Bioorg Med Chem 16: 1299-308 (2008) Article DOI: 10.1016/j.bmc.2007.10.062 BindingDB Entry DOI: 10.7270/Q2RJ4N8X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (92/99 = 93%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis | Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (92/99 = 93%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 6.20 | 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 by competitive binding | J Med Chem 51: 6599-603 (2008) Article DOI: 10.1021/jm800283k BindingDB Entry DOI: 10.7270/Q2W95D0N | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (92/99 = 93%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 6.40 | 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 by enzyme inhibition | J Med Chem 51: 6599-603 (2008) Article DOI: 10.1021/jm800283k BindingDB Entry DOI: 10.7270/Q2W95D0N | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (92/99 = 93%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 28 | 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 by uncompetitive binding | J Med Chem 51: 6599-603 (2008) Article DOI: 10.1021/jm800283k BindingDB Entry DOI: 10.7270/Q2W95D0N | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (93/99 = 94%)† (Human immunodeficiency virus type 1) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 0.589 | n/a | n/a | n/a | n/a | n/a |
Harvard University Curated by ChEMBL | Assay Description Affinity for HIV Protease | J Med Chem 45: 2770-80 (2002) Article DOI: 10.1021/jm0105833 BindingDB Entry DOI: 10.7270/Q2MG7S8S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (93/99 = 94%)† (Human immunodeficiency virus type 1) | BDBM50163391 (CHEMBL195725 | {3-[(4-Amino-benzenesulfonyl)-isobu...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a |
Tibotec BVBA Curated by ChEMBL | Assay Description Binding affinity against HIV-1 protease | J Med Chem 48: 1965-73 (2005) Article DOI: 10.1021/jm049454n BindingDB Entry DOI: 10.7270/Q2668CQJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |