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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Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.0400 | -14.2 | 150 | n/a | n/a | n/a | n/a | 6.8 | 25 |
GlaxoSmithKline | Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f... | Bioorg Med Chem Lett 15: 3560-4 (2005) Article DOI: 10.1016/j.bmcl.2005.05.101 BindingDB Entry DOI: 10.7270/Q2F769SC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.0400 | -14.2 | 150 | n/a | n/a | n/a | n/a | 6.4 | 25 |
GlaxoSmithKline | Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f... | Bioorg Med Chem Lett 15: 81-4 (2005) Article DOI: 10.1016/j.bmcl.2004.10.029 BindingDB Entry DOI: 10.7270/Q29G5K1M | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (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 | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de la Méditerranée Curated by ChEMBL | Assay Description Concentration required to inhibit HIV-1 protease cleavage by 50%. | J Med Chem 45: 3321-4 (2002) BindingDB Entry DOI: 10.7270/Q2VQ3211 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w... | J Med Chem 43: 1094-108 (2000) Article DOI: 10.1021/jm990336n BindingDB Entry DOI: 10.7270/Q2BZ647F | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag polyprotein (Human immunodeficiency virus type 1 group M subtyp...) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | 6.5 | n/a |
DuPont Merck Pharmaceutical Company | Assay Description Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein. | Chem Biol 5: 597-608 (1998) Article DOI: 10.1016/s1074-5521(98)90117-x BindingDB Entry DOI: 10.7270/Q2R78CK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | 6.4 | 25 |
Purdue University | Assay Description The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar... | J Med Chem 51: 6021-33 (2008) Article DOI: 10.1021/jm8004543 BindingDB Entry DOI: 10.7270/Q2G15Z51 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (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 | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland Curated by ChEMBL | Assay Description Inhibition of virion associated RT activity relative to untreated, infected control in MT2 cells infected with HIV-1 237288 strain | J Med Chem 43: 3495-504 (2000) BindingDB Entry DOI: 10.7270/Q2KH0P1S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 109 | n/a | n/a | n/a | n/a | 4.5 | 30 |
Abbott Laboratories | Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM... | Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambrilia Biopharma, Inc. Curated by ChEMBL | Assay Description Inhibition of human cathepsin D | Antimicrob Agents Chemother 51: 4036-43 (2007) Article DOI: 10.1128/AAC.00149-07 BindingDB Entry DOI: 10.7270/Q2K0741N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t... | Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell plasma membrane vesicles assessed as reduction in ATP-dependent [3H]-... | Hepatology 60: 1015-22 (2014) Article DOI: 10.1002/hep.27206 BindingDB Entry DOI: 10.7270/Q2TF00N2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc Curated by ChEMBL | Assay Description Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cells | Antimicrob Agents Chemother 51: 3498-504 (2007) Article DOI: 10.1128/AAC.00671-07 BindingDB Entry DOI: 10.7270/Q24Q7VX6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.81E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 | ||||||||||||
More data for this Ligand-Target Pair |