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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Replicase polyprotein 1ab (2019-nCoV) | BDBM496902 (CVD-0018409 | PF-07321332 | US11351149, Example 13...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM510049 ('WO2021205298, Compound 49 | (3S)-3-({N-[(4-methox...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | 174 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Inhibition of His-tagged HIV-1 integrase-mediated 3' processing and strand transfer reactions using 5'-ACAGGCCTAGCACGCGTCG-Biotin-3' annealed with 5'... | Bioorg Med Chem Lett 25: 3013-6 (2015) Article DOI: 10.1016/j.bmcl.2015.05.011 BindingDB Entry DOI: 10.7270/Q2NG4TN9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi Magna Grecia di Catanzaro Curated by ChEMBL | Assay Description Inhibition of RNA-dependent DNA polymerase activity of wild type Human immunodeficiency virus 1 reverse transcriptase | Eur J Med Chem 50: 216-29 (2012) Article DOI: 10.1016/j.ejmech.2012.01.056 BindingDB Entry DOI: 10.7270/Q2G163Q7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-end-labeled 21-mer double-stranded DNA as substrate after 60 mins by el... | J Med Chem 56: 8588-98 (2013) Article DOI: 10.1021/jm401040b BindingDB Entry DOI: 10.7270/Q2BZ690C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase strand transfer activity by gel-based assay | J Med Chem 58: 1915-28 (2015) Article DOI: 10.1021/jm501799k BindingDB Entry DOI: 10.7270/Q2QJ7JZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM228619 (US9345789, Z-DEVD-FMK) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem | Article | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM46060 (2-(2,5-dimethylphenyl)-6-fluoranyl-1,2-benzothiazo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM228619 (US9345789, Z-DEVD-FMK) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem | Article | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase-associated RNA-dependent DNA polymerase activity after 30 mins | Eur J Med Chem 93: 452-60 (2015) Article DOI: 10.1016/j.ejmech.2015.02.032 BindingDB Entry DOI: 10.7270/Q2BG2QPZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50485887 (CHEMBL2180481) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Binding affinity to recombinant HIV-1 integrase catalytic core domain expressed in Escherichia coli assessed as inhibition of interaction with LEDFG/... | Bioorg Med Chem Lett 25: 3013-6 (2015) Article DOI: 10.1016/j.bmcl.2015.05.011 BindingDB Entry DOI: 10.7270/Q2NG4TN9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars | DrugBank Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00535 BindingDB Entry DOI: 10.7270/Q2V98D1X | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50076169 (CHEMBL3415853) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase strand transfer activity by gel-based assay | J Med Chem 58: 1915-28 (2015) Article DOI: 10.1021/jm501799k BindingDB Entry DOI: 10.7270/Q2QJ7JZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50009001 (5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM46060 (2-(2,5-dimethylphenyl)-6-fluoranyl-1,2-benzothiazo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...) | BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | 8.1 | 37 |
University of Siena | Assay Description RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con... | Chembiochem 17: 683-8 (2016) Article DOI: 10.1002/cbic.201500668 BindingDB Entry DOI: 10.7270/Q25H7F28 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM50274535 (CHEMBL4126250) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Inhibition of FITC-geldanamycin binding to recombinant human HSP90alpha expressed in Escherichia coli by fluorescence anisotropy method | Bioorg Med Chem Lett 28: 2289-2293 (2018) Article DOI: 10.1016/j.bmcl.2018.05.031 BindingDB Entry DOI: 10.7270/Q2028V14 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50076179 (CHEMBL3415843) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase strand transfer activity by gel-based assay | J Med Chem 58: 1915-28 (2015) Article DOI: 10.1021/jm501799k BindingDB Entry DOI: 10.7270/Q2QJ7JZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50076177 (CHEMBL3415845) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase strand transfer activity by gel-based assay | J Med Chem 58: 1915-28 (2015) Article DOI: 10.1021/jm501799k BindingDB Entry DOI: 10.7270/Q2QJ7JZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...) | BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | 8.1 | n/a |
University of Siena | Assay Description The RNA-dependent DNA polymerase (RDDP) activity associated with HIV-1 RT was measured by use of the Invitrogen EnzCheck Reverse Transcriptase Assay ... | Chembiochem 18: 374-377 (2017) Article DOI: 10.1002/cbic.201600592 BindingDB Entry DOI: 10.7270/Q2N29VS8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50142736 ((E)-6-[1-(4-Fluoro-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-end-labeled 21-mer double-stranded DNA as substrate after 60 mins by el... | J Med Chem 56: 8588-98 (2013) Article DOI: 10.1021/jm401040b BindingDB Entry DOI: 10.7270/Q2BZ690C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1) | BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00535 BindingDB Entry DOI: 10.7270/Q2V98D1X | ||||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM442806 (Bonaphthone) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50494161 (CHEMBL3087617) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-end-labeled 21-mer double-stranded DNA as substrate after 60 mins by el... | J Med Chem 56: 8588-98 (2013) Article DOI: 10.1021/jm401040b BindingDB Entry DOI: 10.7270/Q2BZ690C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50076176 (CHEMBL3415846) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase strand transfer activity by gel-based assay | J Med Chem 58: 1915-28 (2015) Article DOI: 10.1021/jm501799k BindingDB Entry DOI: 10.7270/Q2QJ7JZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50596957 (CHEMBL1595621) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00123 BindingDB Entry DOI: 10.7270/Q2TX3KCG | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50587990 (CHEMBL5182942) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00535 BindingDB Entry DOI: 10.7270/Q2V98D1X | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50494183 (CHEMBL3087618) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-end-labeled 21-mer double-stranded DNA as substrate after 60 mins by el... | J Med Chem 56: 8588-98 (2013) Article DOI: 10.1021/jm401040b BindingDB Entry DOI: 10.7270/Q2BZ690C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Inhibition of His-tagged HIV-1 integrase-mediated 3' processing and strand transfer reactions using 5'-ACAGGCCTAGCACGCGTCG-Biotin-3' annealed with 5'... | Bioorg Med Chem Lett 25: 3013-6 (2015) Article DOI: 10.1016/j.bmcl.2015.05.011 BindingDB Entry DOI: 10.7270/Q2NG4TN9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase strand transfer activity by gel-based assay | J Med Chem 58: 1915-28 (2015) Article DOI: 10.1021/jm501799k BindingDB Entry DOI: 10.7270/Q2QJ7JZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Inhibition of LEDGF/p75-dependent full length HIV-1 integrase expressed in Escherichia coli BL21(DE3) cells preincubated for 1 hr further incubated f... | Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111617 BindingDB Entry DOI: 10.7270/Q2NK3JDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50494162 (CHEMBL3087616) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-end-labeled 21-mer double-stranded DNA as substrate after 60 mins by el... | J Med Chem 56: 8588-98 (2013) Article DOI: 10.1021/jm401040b BindingDB Entry DOI: 10.7270/Q2BZ690C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50011006 (CHEMBL3259895) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Binding affinity to recombinant HIV-1 integrase catalytic core domain expressed in Escherichia coli assessed as inhibition of interaction with LEDFG/... | Bioorg Med Chem Lett 25: 3013-6 (2015) Article DOI: 10.1016/j.bmcl.2015.05.011 BindingDB Entry DOI: 10.7270/Q2NG4TN9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50076175 (CHEMBL3415847) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase strand transfer activity by gel-based assay | J Med Chem 58: 1915-28 (2015) Article DOI: 10.1021/jm501799k BindingDB Entry DOI: 10.7270/Q2QJ7JZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50076172 (CHEMBL3415850) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase strand transfer activity by gel-based assay | J Med Chem 58: 1915-28 (2015) Article DOI: 10.1021/jm501799k BindingDB Entry DOI: 10.7270/Q2QJ7JZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50166940 (NP-031112 | NP-12 | Tideglusib | US20230414581, Co...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM442805 (Felbinac ethyl) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 HXB2 integrase using 32P-labelled oligonucleotide as substrate after 1 hr by phosphorimager analysis | J Med Chem 58: 1915-28 (2015) Article DOI: 10.1021/jm501799k BindingDB Entry DOI: 10.7270/Q2QJ7JZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50142737 ((E)-6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-hex-5-en...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-end-labeled 21-mer double-stranded DNA as substrate after 60 mins by el... | J Med Chem 56: 8588-98 (2013) Article DOI: 10.1021/jm401040b BindingDB Entry DOI: 10.7270/Q2BZ690C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM442806 (Bonaphthone) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50076168 (CHEMBL3415854) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase strand transfer activity by gel-based assay | J Med Chem 58: 1915-28 (2015) Article DOI: 10.1021/jm501799k BindingDB Entry DOI: 10.7270/Q2QJ7JZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50418081 (OLTIPRAZ) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM49122 (2-amino-3-hydroxy-N'-(2,3,4-trihydroxybenzyl)propi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50494160 (CHEMBL3087619) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-end-labeled 21-mer double-stranded DNA as substrate after 60 mins by el... | J Med Chem 56: 8588-98 (2013) Article DOI: 10.1021/jm401040b BindingDB Entry DOI: 10.7270/Q2BZ690C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM64748 (7-[(4-methyl-1-piperazinyl)-[4-(trifluoromethyl)ph...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50431275 (CARMOFUR | Carm-ofur | Mifurol | med.21724, Compou...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR | |||||||||||
More data for this Ligand-Target Pair |
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