BDBM80776 2-Acetylamino-5-benzyl-4-methyl-thiophene-3-carboxylic acid methyl ester::2-acetamido-4-methyl-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester::2-acetamido-5-benzyl-4-methyl-thiophene-3-carboxylic acid methyl ester::MLS000556098::SMR000175820::cid_746923::methyl 2-acetamido-4-methyl-5-(phenylmethyl)thiophene-3-carboxylate::methyl 2-acetamido-5-benzyl-4-methylthiophene-3-carboxylate

SMILES: COC(=O)c1c(C)c(Cc2ccccc2)sc1NC(C)=O

InChI Key: InChIKey=QSNASKZXAYHZGL-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 80776   

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
Hexokinase type I (Homo sapiens (Human))	BDBM80776 (2-Acetylamino-5-benzyl-4-methyl-thiophene-3-carbox...) Show SMILES COC(=O)c1c(C)c(Cc2ccccc2)sc1NC(C)=O Show InChI InChI=1S/C16H17NO3S/c1-10-13(9-12-7-5-4-6-8-12)21-15(17-11(2)18)14(10)16(19)20-3/h4-8H,9H2,1-3H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.94E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2765CSM
					More data for this Ligand-Target Pair
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM80776 (2-Acetylamino-5-benzyl-4-methyl-thiophene-3-carbox...) Show SMILES COC(=O)c1c(C)c(Cc2ccccc2)sc1NC(C)=O Show InChI InChI=1S/C16H17NO3S/c1-10-13(9-12-7-5-4-6-8-12)21-15(17-11(2)18)14(10)16(19)20-3/h4-8H,9H2,1-3H3,(H,17,18)	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2R78CQV
					More data for this Ligand-Target Pair