BDBM114653 CHEMBL1719929::MLS003178552::N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;2,2,2-trifluoroacetic acid::N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]ethanamide;2,2,2-tris(fluoranyl)ethanoic acid::SMR001882357::cid_60138097

SMILES: CN1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1

InChI Key: InChIKey=BNBPDLHZYILUPO-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 = 114653   

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
Methyl-CpG binding domain protein 2 (Homo sapiens (Human))	BDBM114653 (CHEMBL1719929 | MLS003178552 | N-[3-(1,3-benzothia...) Show SMILES CN1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1 Show InChI InChI=1S/C17H17N3OS2/c1-10(21)18-16-15(11-7-8-20(2)9-14(11)23-16)17-19-12-5-3-4-6-13(12)22-17/h3-6H,7-9H2,1-2H3,(H,18,21)	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q20K2778
					More data for this Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM114653 (CHEMBL1719929 | MLS003178552 | N-[3-(1,3-benzothia...) Show SMILES CN1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1 Show InChI InChI=1S/C17H17N3OS2/c1-10(21)18-16-15(11-7-8-20(2)9-14(11)23-16)17-19-12-5-3-4-6-13(12)22-17/h3-6H,7-9H2,1-2H3,(H,18,21)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant APE1 using [35P]-5'-AP-DNA as substrate incubated for 15 mins prior to substrate addition measured after 5 mins by PAGE ana...				J Med Chem 55: 3101-12 (2012) Article DOI: 10.1021/jm201537d BindingDB Entry DOI: 10.7270/Q2V98941
					More data for this Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM114653 (CHEMBL1719929 | MLS003178552 | N-[3-(1,3-benzothia...) Show SMILES CN1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1 Show InChI InChI=1S/C17H17N3OS2/c1-10(21)18-16-15(11-7-8-20(2)9-14(11)23-16)17-19-12-5-3-4-6-13(12)22-17/h3-6H,7-9H2,1-2H3,(H,18,21)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant APE1 after 15 mins by fluorescence based HTS assay				J Med Chem 55: 3101-12 (2012) Article DOI: 10.1021/jm201537d BindingDB Entry DOI: 10.7270/Q2V98941
					More data for this Ligand-Target Pair