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) | BDBM123407 (US8741926, 91) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.0500 | -59.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ... | US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM123410 (US8741926, 82 | US8754106, 82 | US8754106, 91) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p... | US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM123415 (US8741926, 95 | US8754106, 95) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.100 | -58.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ... | US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM123415 (US8741926, 95 | US8754106, 95) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p... | US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM123413 (US8741926, 94 | US8754106, 94) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p... | US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM124106 (US8754106, 56) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p... | US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM123411 (US8741926, 56) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.100 | -58.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ... | US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM123413 (US8741926, 94 | US8754106, 94) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.100 | -58.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ... | US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM124107 (US8754105, 23) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.200 | -56.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Medivir AB; Janssen R&D Ireland US Patent | Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p... | US Patent US8754105 (2014) BindingDB Entry DOI: 10.7270/Q2QC0250 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human)) | BDBM50318494 (3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles | J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM123414 (US8741926, 48 | US8754106, 48) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p... | US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM123414 (US8741926, 48 | US8754106, 48) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.25 | -55.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ... | US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin I (Plasmodium falciparum) | BDBM50169098 (CHEMBL264770 | Pyridine-2-carboxylic acid {(S)-1-[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL 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 |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM123412 (US8741926, 57 | US8754106, 57) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p... | US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin I (Plasmodium falciparum) | BDBM50169100 (CHEMBL191260 | Pyridine-2-carboxylic acid {(S)-1-[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL 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 |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18784 (5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL 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 |
University of Manchester Curated by ChEMBL | Assay Description Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS. | J Med Chem 41: 1367-70 (1998) Article DOI: 10.1021/jm970845u BindingDB Entry DOI: 10.7270/Q2ZC83JJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM123412 (US8741926, 57 | US8754106, 57) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.300 | -55.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ... | US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50485121 (CHEMBL2030954) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | 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 of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... | J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin I (Plasmodium falciparum) | BDBM50169103 (CHEMBL191130 | Pyridine-2-carboxylic acid {(S)-1-[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL 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 |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin I (Plasmodium falciparum) | BDBM50169104 (CHEMBL371417 | Pyridine-2-carboxylic acid {(S)-1-[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL 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 |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM50336504 ((2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB US Patent | 0.5 | -54.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ... | US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM50336504 ((2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | US Patent | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p... | US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin I (Plasmodium falciparum) | BDBM7977 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin I (Plasmodium falciparum) | BDBM7977 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linkoping University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 47: 3353-66 (2004) Article DOI: 10.1021/jm031106i BindingDB Entry DOI: 10.7270/Q2WM1BMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin II (Plasmodium falciparum) | BDBM7974 ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin II (Plasmodium falciparum) | BDBM7974 ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.560 | -52.3 | n/a | n/a | n/a | n/a | n/a | 4.5 | 22 |
Linkoping University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 47: 3353-66 (2004) Article DOI: 10.1021/jm031106i BindingDB Entry DOI: 10.7270/Q2WM1BMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin I (Plasmodium falciparum) | BDBM50169106 (CHEMBL363286 | Pyridine-2-carboxylic acid ((S)-1-{...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50485126 (CHEMBL2030953) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.700 | 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 HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... | J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50169103 (CHEMBL191130 | Pyridine-2-carboxylic acid {(S)-1-[...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the human Cathepsin D | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50485120 (CHEMBL2030952) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.800 | 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 HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... | J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50485130 (CHEMBL2031103) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.800 | 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 HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... | J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of 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 UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.800 | -52.8 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Linkoping 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... | J Med Chem 44: 3083-91 (2001) Article DOI: 10.1021/jm001134q BindingDB Entry DOI: 10.7270/Q2DZ06GR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin II (Plasmodium falciparum) | BDBM50169098 (CHEMBL264770 | Pyridine-2-carboxylic acid {(S)-1-[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50307380 (CHEMBL589771 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stockholm University Curated by ChEMBL | Assay Description Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay | J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human)) | BDBM50016400 (2,6-Dimethyl-4-(2-methylsulfanyl-3-nitro-phenyl)-1...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles | J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin I (Plasmodium falciparum) | BDBM50169105 (CHEMBL370086 | Pyridine-2-carboxylic acid {(S)-1-[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human)) | BDBM50336640 ((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles | J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin I (Plasmodium falciparum) | BDBM50169109 (CHEMBL190290 | Pyridine-2-carboxylic acid ((S)-1-{...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin II (Plasmodium falciparum) | BDBM50169103 (CHEMBL191130 | Pyridine-2-carboxylic acid {(S)-1-[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50064020 (6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamin...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester Curated by ChEMBL | Assay Description Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS. | J Med Chem 41: 1367-70 (1998) Article DOI: 10.1021/jm970845u BindingDB Entry DOI: 10.7270/Q2ZC83JJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin II (Plasmodium falciparum) | BDBM50169100 (CHEMBL191260 | Pyridine-2-carboxylic acid {(S)-1-[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM353 ((2R,3R,4R,5R)-2,5-bis[(2,4-difluorophenyl)methoxy]...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.12 | -51.9 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Linkoping 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... | J Med Chem 44: 3083-91 (2001) Article DOI: 10.1021/jm001134q BindingDB Entry DOI: 10.7270/Q2DZ06GR | |||||||||||
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 | 1.22 | -51.7 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Linkoping 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... | J Med Chem 44: 3083-91 (2001) Article DOI: 10.1021/jm001134q BindingDB Entry DOI: 10.7270/Q2DZ06GR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM352 ((2R,3R,4R,5R)-2,5-bis[(2,3-difluorophenyl)methoxy]...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.28 | -51.6 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Linkoping 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... | J Med Chem 44: 3083-91 (2001) Article DOI: 10.1021/jm001134q BindingDB Entry DOI: 10.7270/Q2DZ06GR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50253660 (2-{3-(2-Amino-ethyl-guanidino)-4-[2-amino-3-(4-flu...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells | J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester Curated by ChEMBL | Assay Description Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS. | J Med Chem 41: 1367-70 (1998) Article DOI: 10.1021/jm970845u BindingDB Entry DOI: 10.7270/Q2ZC83JJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50169104 (CHEMBL371417 | Pyridine-2-carboxylic acid {(S)-1-[...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the human Cathepsin D | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM365 ((2R,3R,4R,5R)-2,5-bis[(2,6-difluorophenyl)methoxy]...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.64 | -51.0 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Linkoping 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... | J Med Chem 44: 3083-91 (2001) Article DOI: 10.1021/jm001134q BindingDB Entry DOI: 10.7270/Q2DZ06GR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM363 ((2R,3R,4R,5R)-2,5-bis[(2,4-difluorophenyl)methoxy]...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.65 | -51.0 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Linkoping 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... | J Med Chem 44: 3083-91 (2001) Article DOI: 10.1021/jm001134q BindingDB Entry DOI: 10.7270/Q2DZ06GR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50485122 (CHEMBL2030955) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.70 | 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 HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... | J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086 | |||||||||||
More data for this Ligand-Target Pair |
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