BDBM50095502 4-(5-Benzyl-thiophen-2-yl)-2,4-dioxo-butyric acid::CHEMBL196421::CHEMBL358506

SMILES: OC(=O)C(=O)CC(=O)c1ccc(Cc2ccccc2)s1

InChI Key: InChIKey=PHCFKAVFHIELCJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50095502   

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
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50095502 (4-(5-Benzyl-thiophen-2-yl)-2,4-dioxo-butyric acid ...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cc2ccccc2)s1 Show InChI InChI=1S/C15H12O4S/c16-12(9-13(17)15(18)19)14-7-6-11(20-14)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50095502 (4-(5-Benzyl-thiophen-2-yl)-2,4-dioxo-butyric acid ...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cc2ccccc2)s1 Show InChI InChI=1S/C15H12O4S/c16-12(9-13(17)15(18)19)14-7-6-11(20-14)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	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
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM50095502 (4-(5-Benzyl-thiophen-2-yl)-2,4-dioxo-butyric acid ...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cc2ccccc2)s1 Show InChI InChI=1S/C15H12O4S/c16-12(9-13(17)15(18)19)14-7-6-11(20-14)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80E+4	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