BDBM50115572 (Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid::4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid::CHEMBL108253::CHEMBL18927::CHEMBL492770

SMILES: OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1

InChI Key: InChIKey=FCBLTJFBERTVBY-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50115572   

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
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Italy. Vinc Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonstructural protein 5B				J Med Chem 47: 14-7 (2003) Article DOI: 10.1021/jm0342109 BindingDB Entry DOI: 10.7270/Q2736QB8
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	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 Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was determined against Recombinant HIV-1 integrase (3'processing)				Bioorg Med Chem Lett 13: 1215-9 (2003) BindingDB Entry DOI: 10.7270/Q23J3CB7
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of Integrase (3'-processing) as measured in an in vitro assay				Bioorg Med Chem Lett 14: 1205-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.064 BindingDB Entry DOI: 10.7270/Q23X8628
					More data for this Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of Rome La Sapienza Curated by ChEMBL					Assay Description Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)				J Med Chem 48: 6304-14 (2005) Article DOI: 10.1021/jm0504454 BindingDB Entry DOI: 10.7270/Q2T43SNM
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	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
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay				Bioorg Med Chem Lett 19: 1636-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.010 BindingDB Entry DOI: 10.7270/Q2CR5T7K
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.50E+4	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
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck-Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem 19: 2145-55 (2011) Article DOI: 10.1016/j.bmc.2011.02.047 BindingDB Entry DOI: 10.7270/Q2BR8SHK
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	350	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
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.50E+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 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assay in experiment 1				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	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 in experiment 2				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	350	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
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of ATPase activity of SCV helicase assessed as phosphate release by colorimetric assay				Bioorg Med Chem Lett 19: 1636-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.010 BindingDB Entry DOI: 10.7270/Q2CR5T7K
					More data for this Ligand-Target Pair