BindingDB PrimarySearch

BDBM50115581 (Z)-2-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-but-2-enoic acid::2-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-but-2-enoic acid::CHEMBL108423::CHEMBL185721::CHEMBL573638

SMILES: OC(=O)C(=O)CC(=O)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=NHQPPCOWPBXWBJ-UHFFFAOYSA-N

Data: 1 KI 6 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50115581
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
PA/PB1 (Hepatitis C virus)	BDBM50115581 ((Z)-2-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-but-2-eno...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Binding affinity to PA N-terminal domain (Competitive)				ACS Chem Biol 7: 526-34 (2012) Article DOI: 10.1021/cb200439z BindingDB Entry DOI: 10.7270/Q2JQ121G
					More data for this Ligand-Target Pair
DNA excision repair protein ERCC-5 (Homo sapiens (Human))	BDBM50115581 ((Z)-2-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-but-2-eno...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Athersys, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of Xeroderma pigmentosum G				Bioorg Med Chem Lett 14: 4915-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.028 BindingDB Entry DOI: 10.7270/Q2ZC82BF
Athersys, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Flap endonuclease 1 (Homo sapiens (Human))	BDBM50115581 ((Z)-2-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-but-2-eno...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Athersys, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of Flap endonuclease-1				Bioorg Med Chem Lett 14: 4915-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.028 BindingDB Entry DOI: 10.7270/Q2ZC82BF
Athersys, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
PA/PB1 (Hepatitis C virus)	BDBM50115581 ((Z)-2-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-but-2-eno...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Plaque growth inhibition				ACS Chem Biol 7: 526-34 (2012) Article DOI: 10.1021/cb200439z BindingDB Entry DOI: 10.7270/Q2JQ121G
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50115581 ((Z)-2-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-but-2-eno...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.80E+3	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 in experiment 1				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)	BDBM50115581 ((Z)-2-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-but-2-eno...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	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)	BDBM50115581 ((Z)-2-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-but-2-eno...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.14E+4	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)	BDBM50115581 ((Z)-2-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-but-2-eno...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	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 in experiment 2				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