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

Data: 2 KI  14 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50240448   

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
Integrase (Human immunodeficiency virus 1)	BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	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