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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Genome polyprotein (Hepatitis C virus) | BDBM50326055 ((1R,21S,24S)-21-tert-Butyl-N-((1R,2R)-1-{[(cyclopr...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay | Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50156147 (1-(2,3-Dimethyl-butyrylamino)-3,4-dihydroxy-5-(2-h...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50121507 (2-{[2,5-Bis-benzyloxy-3,4-dihydroxy-5-(2-hydroxy-i...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0540 | n/a | n/a | 4.42 | n/a | n/a | 5.97E+6 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholine-binding protein (Lymnaea stagnalis) | BDBM50088453 (1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen | Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti... | J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM578 ((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | 0.0890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of HCV genotype-1a NS3 protease | Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM854 (C2-Symmetric inhibitor 12 | CHEMBL127045 | N1,N6-B...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.0900 | n/a | n/a | 1.95 | n/a | n/a | 2.04E+5 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1) | BDBM854 (C2-Symmetric inhibitor 12 | CHEMBL127045 | N1,N6-B...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0900 | -58.3 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Uppsala University | Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a... | J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50156140 (1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholine-binding protein (Lymnaea stagnalis) | BDBM50143314 ((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.0970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen | Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti... | J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50121505 (2,5-Bis-benzyloxy-3,4-dihydroxy-hexanedioic acid b...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.100 | n/a | n/a | 70 | n/a | n/a | 1.01E+5 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM851 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.100 | -58.0 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Uppsala University | Assay Description A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid... | Eur J Biochem 270: 1746-58 (2003) Article DOI: 10.1046/j.1432-1033.2003.03533.x BindingDB Entry DOI: 10.7270/Q2NZ85WX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM12218 ((2R,3R,4R,5R)-N-benzyl-2,5-bis(benzyloxy)-3,4-dihy...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 0.100 | -58.0 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Uppsala University | Assay Description A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid... | Eur J Biochem 270: 1746-58 (2003) Article DOI: 10.1046/j.1432-1033.2003.03533.x BindingDB Entry DOI: 10.7270/Q2NZ85WX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University | Assay Description Analysis of the inhibition activation of flNS3 by the inhibitors was performed with the standard assay, allowing the inhibitor to preincubate with NS... | Biochemistry 48: 11592-602 (2009) Article DOI: 10.1021/bi9016928 BindingDB Entry DOI: 10.7270/Q2F47MR0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM358 ((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.200 | -56.3 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Uppsala University | Assay Description A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid... | Eur J Biochem 270: 1746-58 (2003) Article DOI: 10.1046/j.1432-1033.2003.03533.x BindingDB Entry DOI: 10.7270/Q2NZ85WX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50066918 ((2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexa...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory activity against purified HIV-1 protease expressed in E. coli in sensitive fluorometric assay | J Med Chem 41: 3782-92 (1998) Article DOI: 10.1021/jm970777b BindingDB Entry DOI: 10.7270/Q2PK0F93 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM92899 (NS3 Protease Inhibitor, 10) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University | Assay Description Analysis of the inhibition activation of flNS3 by the inhibitors was performed with the standard assay, allowing the inhibitor to preincubate with NS... | Biochemistry 48: 11592-602 (2009) Article DOI: 10.1021/bi9016928 BindingDB Entry DOI: 10.7270/Q2F47MR0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM18137 (AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 0.230 | n/a | n/a | 1.13 | n/a | n/a | 4.43E+6 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50121499 (5,6-Dihydroxy-1,3-bis-(4-hydroxymethyl-benzyl)-4,7...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.230 | n/a | n/a | 7 | n/a | n/a | 7.06E+9 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM519 ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM519 ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | 0.230 | n/a | n/a | 0.315 | n/a | n/a | 8.17E+5 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
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 Article PubMed | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat)) | BDBM50088453 (1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen | Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti... | J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM150 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | 0.270 | n/a | n/a | 3.83 | n/a | n/a | 2.52E+10 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay | Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50156141 (5-(4-Bromo-phenoxy)-1,6-bis-(2,3-dimethyl-butyryla...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50156143 (1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1) | BDBM855 ((2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis({[4-(2-hydroxy...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.300 | -55.3 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Uppsala University | Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a... | J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1) | BDBM851 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.300 | -55.3 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Uppsala University | Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a... | J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1) | BDBM845 ((2R,3R,4R,5R)-2,5-bis[(4-bromophenyl)methoxy]-3,4-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.300 | -55.3 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Uppsala University | Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a... | J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM845 ((2R,3R,4R,5R)-2,5-bis[(4-bromophenyl)methoxy]-3,4-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.300 | n/a | n/a | 21 | n/a | n/a | 8.89E+5 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM855 ((2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis({[4-(2-hydroxy...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.300 | n/a | n/a | 18 | n/a | n/a | 2.93E+4 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | 0.310 | n/a | n/a | 1.07 | n/a | n/a | 1.53E+6 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat)) | BDBM50088454 (1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane | 1-(6-bro...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen | Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti... | J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat)) | BDBM50143314 ((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen | Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti... | J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50588206 (CHEMBL5183968) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.ejmech.2021.113878 BindingDB Entry DOI: 10.7270/Q2PK0M3G | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM50336504 ((2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay | Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM12216 ((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N-[...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.400 | -54.5 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Uppsala University | Assay Description A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid... | Eur J Biochem 270: 1746-58 (2003) Article DOI: 10.1046/j.1432-1033.2003.03533.x BindingDB Entry DOI: 10.7270/Q2NZ85WX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50156146 ((1R,2S,3R,4R)-1,4-bis({[(2S)-2,3-dimethylbutanoyl]...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM348 ((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory activity against purified HIV-1 protease expressed in E. coli in sensitive fluorometric assay | J Med Chem 41: 3782-92 (1998) Article DOI: 10.1021/jm970777b BindingDB Entry DOI: 10.7270/Q2PK0F93 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM348 ((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.400 | n/a | n/a | 11 | n/a | n/a | 3.55E+5 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1) | BDBM348 ((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.400 | -54.5 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Uppsala University | Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a... | J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50588208 (CHEMBL5187099) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.ejmech.2021.113878 BindingDB Entry DOI: 10.7270/Q2PK0M3G | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.ejmech.2021.113878 BindingDB Entry DOI: 10.7270/Q2PK0M3G | ||||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50366785 (NELFINAVIR) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50366785 (NELFINAVIR) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 0.540 | n/a | n/a | 1.64 | n/a | n/a | 6.63E+5 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM853 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | 0.550 | n/a | n/a | 0.643 | n/a | n/a | 4.77E+5 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50156152 (1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair |
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