BDBM50240448 2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldiphosphonic acid::CHEMBL34249::[2-(3,4-Dichloro-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid
SMILES: OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O
InChI Key: InChIKey=PLCHIKRJFFNZDC-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Integrase (Human immunodeficiency virus 1) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Non-competitive inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate after 1 hr by double-recipro... | Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Competitive inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate after 1 hr by double-reciprocal ... | Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase E92Q mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-pro... | Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B-2/U5A DNA as substrate assessed as inhibition of strand transfer ... | Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase N155H mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-pr... | Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase G140S mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-pr... | Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B-2/U5A DNA as substrate assessed as inhibition of strand transfer ... | Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reac... | Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Displacement of [32P]-labeled U5B/U5A DNA from HIV-1 integrase expressed in Escherichia coli in presence of Mn2+ | Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Inhibition of HIV-1 GST-tagged integrase-His6-tagged LEDGF complex expressed in Escherichia coli BL21(DE3) using [32P]-labeled U5B/U5A DNA as substra... | Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reac... | Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Inhibition of HIV-1 GST-tagged integrase-His6-tagged LEDGF complex expressed in Escherichia coli BL21(DE3) using [32P]-labeled U5B/U5A DNA as substra... | Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase E138K mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-pr... | Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Displacement of [32P]-labeled U5B/U5A DNA from HIV-1 integrase expressed in Escherichia coli in presence of Mg2+ | Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign Curated by ChEMBL | Assay Description Inhibition of human FPPS | Bioorg Med Chem 16: 8959-67 (2008) Article DOI: 10.1016/j.bmc.2008.08.047 BindingDB Entry DOI: 10.7270/Q2639PKT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inositol-1(or 4)-monophosphatase 1 (Bos taurus) | BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested for the inhibitory activity against recombinant bovine brain myo-inositol monophosphatase | Bioorg Med Chem Lett 3: 141-146 (1993) Article DOI: 10.1016/S0960-894X(01)80864-7 BindingDB Entry DOI: 10.7270/Q2JD4WRV | |||||||||||
More data for this Ligand-Target Pair |