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| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| HIV-1 Protease (94/99 = 95%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.0100 | -62.8 | n/a | 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 10: 1159-62 (2000) Article DOI: 10.1016/s0960-894x(00)00163-3 BindingDB Entry DOI: 10.7270/Q2X63K5G | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (crystal) | ||||||||||||
| Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM50061306 ((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | 0.0700 | 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) BindingDB Entry DOI: 10.7270/Q24B344W | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease Mutant (A71V) (98/99 = 99%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.220 | -57.3 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease (97/99 = 98%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.254 | -54.8 | n/a | n/a | n/a | n/a | n/a | 5.0 | 25 |
The Johns Hopkins University | Assay Description Protease activity was determined by following the increase in fluorescence with hydrolysis of the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Ty... | Biochemistry 42: 631-8 (2003) Article DOI: 10.1021/bi027019u BindingDB Entry DOI: 10.7270/Q2668BB6 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 protease (88/99 = 89%)† (Human immunodeficiency virus) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | 5.5 | n/a |
DuPont Pharmaceuticals Company | Assay Description Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease. | Chem Biol 5: 597-608 (1998) Article DOI: 10.1124/jpet.104.066092 BindingDB Entry DOI: 10.7270/Q2R78CK2 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease Mutant (M36I/A71V) (97/99 = 98%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.630 | -54.6 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease Mutant (M36I) (98/99 = 99%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.900 | -53.7 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease B Subtype (99/99 = 100%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 1.20 | -53.0 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease B Subtype Mutant (V82F) (98/99 = 99%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 1.20 | -53.0 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease (98/99 = 99%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 1.20 | -53.0 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease (99/99 = 100%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 1.20 | -53.0 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease Mutant, A-1 (96/99 = 97%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 1.90 | -49.8 | n/a | n/a | n/a | n/a | n/a | 5.0 | 25 |
The Johns Hopkins University | Assay Description Protease activity was determined by following the increase in fluorescence with hydrolysis of the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Ty... | Biochemistry 42: 631-8 (2003) Article DOI: 10.1021/bi027019u BindingDB Entry DOI: 10.7270/Q2668BB6 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease AE (92/99 = 93%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 2 | -51.6 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Human immunodeficiency virus type 1 protease (98/99 = 99%)† (Human immunodeficiency virus type 1) | BDBM50061306 ((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals Inc Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 protease | J Med Chem 40: 3979-85 (1998) Article DOI: 10.1021/jm9704098 BindingDB Entry DOI: 10.7270/Q2V69K71 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease AE Mutant (V82F) (91/99 = 92%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease Mutant (D30N/M36I) (97/99 = 98%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 6 | -48.8 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease Mutant (D30N/A71V) (97/99 = 98%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 6.10 | -48.8 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease Mutant (D30N) (93/99 = 94%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 6.80 | -48.5 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease Mutant V6 (90/99 = 91%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 17 | -46.1 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease AE-P Mutant (F82V) (88/99 = 89%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease Mutant V6(54) (89/99 = 90%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 23 | -45.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease Mutant V6(84) (89/99 = 90%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease Mutant (D30N/M36I/A71V) (96/99 = 97%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 26 | -45.0 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease AE-P (87/99 = 88%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 146 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease Mutant V6(46/54/84) (87/99 = 88%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 563 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM50061306 ((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | 931 | 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) BindingDB Entry DOI: 10.7270/Q2RJ4N8X | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| HIV-1 Protease Mutant V6(54/84) (88/99 = 89%)† (Human immunodeficiency virus type 1) | BDBM518 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM50061306 ((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi della Basilicata Curated by ChEMBL | Assay Description Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluorogenic substrate | J Med Chem 53: 1451-7 (2010) BindingDB Entry DOI: 10.7270/Q2P271XP | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM50061306 ((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi della Basilicata Curated by ChEMBL | Assay Description Inhibition of wild type HIV-1 protease assessed as hydrolysis of fluorogenic substrate Abz-Thr-Ile-Nle-Phe(NO2)-Gln-Arg after 10 mins by fluorescence... | Bioorg Med Chem Lett 22: 2948-50 (2012) BindingDB Entry DOI: 10.7270/Q2X069WN | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Human immunodeficiency virus type 1 protease (98/99 = 99%)† (Human immunodeficiency virus type 1) | BDBM50061306 ((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Dublin Curated by ChEMBL | Assay Description Compound was tested for inhibitory activity against HIV-1 protease | Bioorg Med Chem Lett 12: 1763-6 (2002) Article DOI: 10.1016/s0960-894x(02)00220-2 BindingDB Entry DOI: 10.7270/Q22R3S65 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM50061306 ((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 5.1 | Bioorg Med Chem 20: 4838-47 (2012) BindingDB Entry DOI: 10.7270/Q20P12WC | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM50061306 ((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 4.1 | Bioorg Med Chem 20: 4838-47 (2012) BindingDB Entry DOI: 10.7270/Q20P12WC | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM50061306 ((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 7.4 | Bioorg Med Chem 20: 4838-47 (2012) BindingDB Entry DOI: 10.7270/Q20P12WC | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
