BindingDB PrimarySearch

BDBM107681 (2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxobut-2-enoic acid (Compound 2)::CHEMBL19977::CHEMBL320261

SMILES: OC(=O)C(=O)CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

InChI Key: InChIKey=SLRLQBRWUMWEOZ-UHFFFAOYSA-N

Data: 14 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 107681
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
HIV-1 Integrase (Human immunodeficiency virus type 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Nirma University, Ahmedabad, 382 481, India.					Assay Description HIV-1 integrase inhibitory activity of compounds were determined using strand transferase inhibitory assay.				Chem Biol Drug Des 83: 154-66 (2014) Article DOI: 10.1111/cbdd.12207 BindingDB Entry DOI: 10.7270/Q2QR4VSW
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Recombinant HIV-1 integrase (Standard transfer reaction)				Bioorg Med Chem Lett 13: 1215-9 (2003) BindingDB Entry DOI: 10.7270/Q23J3CB7
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
Università di Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory concentration against 3'processing of HIV-1 Integrase				J Med Chem 48: 4526-34 (2005) Article DOI: 10.1021/jm049171v BindingDB Entry DOI: 10.7270/Q2CV4H9D
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against integration of HIV-1 Integrase				J Med Chem 48: 4526-34 (2005) Article DOI: 10.1021/jm049171v BindingDB Entry DOI: 10.7270/Q2CV4H9D
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
University of Houston Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
K.L.E.S. College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase-mediated 3'-end processing activity				Eur J Med Chem 42: 1159-68 (2007) Article DOI: 10.1016/j.ejmech.2007.01.024 BindingDB Entry DOI: 10.7270/Q27P9255
K.L.E.S. College of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
National Cancer Institute/NIH Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Recombinant HIV-1 integrase (3'processing)				Bioorg Med Chem Lett 13: 1215-9 (2003) BindingDB Entry DOI: 10.7270/Q23J3CB7
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity				Antimicrob Agents Chemother 52: 2861-9 (2008) Article DOI: 10.1128/aac.00210-08 BindingDB Entry DOI: 10.7270/Q2XK8JCF
Katholieke Universiteit Leuven Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase				Antimicrob Agents Chemother 52: 2861-9 (2008) Article DOI: 10.1128/aac.00210-08 BindingDB Entry DOI: 10.7270/Q2XK8JCF
Katholieke Universiteit Leuven Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity after 1 hr				Bioorg Med Chem Lett 20: 5469-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.087 BindingDB Entry DOI: 10.7270/Q2W3804J
Beijing University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
K.L.E.S. College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Eur J Med Chem 42: 1159-68 (2007) Article DOI: 10.1016/j.ejmech.2007.01.024 BindingDB Entry DOI: 10.7270/Q27P9255
K.L.E.S. College of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
National Cancer Institute/NIH Curated by ChEMBL					More data for this Ligand-Target Pair