BDBM46793 CHEMBL1617574::MLS000419194::N-[3-(1,3-benzothiazol-2-yl)-6-isopropyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride::N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride::N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]ethanamide;hydrochloride::SMR000319807::cid_16195022

SMILES: CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1

InChI Key: InChIKey=JMSPCTGDYFVMJZ-UHFFFAOYSA-N

Data: 2 IC50  5 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 7 hits for monomerid = 46793   

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
transient receptor potential cation channel, subfamily N, member 1 (Danio rerio)	BDBM46793 (CHEMBL1617574 | MLS000419194 | N-[3-(1,3-benzothia...) Show SMILES CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1 Show InChI InChI=1S/C19H21N3OS2/c1-11(2)22-9-8-13-16(10-22)25-18(20-12(3)23)17(13)19-21-14-6-4-5-7-15(14)24-19/h4-7,11H,8-10H2,1-3H3,(H,20,23)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.51E+4	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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q28S4NBW
					More data for this Ligand-Target Pair
MCOLN3 protein (Homo sapiens (Human))	BDBM46793 (CHEMBL1617574 | MLS000419194 | N-[3-(1,3-benzothia...) Show SMILES CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1 Show InChI InChI=1S/C19H21N3OS2/c1-11(2)22-9-8-13-16(10-22)25-18(20-12(3)23)17(13)19-21-14-6-4-5-7-15(14)24-19/h4-7,11H,8-10H2,1-3H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.99E+4	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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q22Z13Z2
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM46793 (CHEMBL1617574 | MLS000419194 | N-[3-(1,3-benzothia...) Show SMILES CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1 Show InChI InChI=1S/C19H21N3OS2/c1-11(2)22-9-8-13-16(10-22)25-18(20-12(3)23)17(13)19-21-14-6-4-5-7-15(14)24-19/h4-7,11H,8-10H2,1-3H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.16E+5	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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Q23XQJ
					More data for this Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM46793 (CHEMBL1617574 | MLS000419194 | N-[3-(1,3-benzothia...) Show SMILES CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1 Show InChI InChI=1S/C19H21N3OS2/c1-11(2)22-9-8-13-16(10-22)25-18(20-12(3)23)17(13)19-21-14-6-4-5-7-15(14)24-19/h4-7,11H,8-10H2,1-3H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	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
FXN frataxin (Aspergillus niger)	BDBM46793 (CHEMBL1617574 | MLS000419194 | N-[3-(1,3-benzothia...) Show SMILES CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1 Show InChI InChI=1S/C19H21N3OS2/c1-11(2)22-9-8-13-16(10-22)25-18(20-12(3)23)17(13)19-21-14-6-4-5-7-15(14)24-19/h4-7,11H,8-10H2,1-3H3,(H,20,23)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.21E+3	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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2PK0DN5
					More data for this Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM46793 (CHEMBL1617574 | MLS000419194 | N-[3-(1,3-benzothia...) Show SMILES CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1 Show InChI InChI=1S/C19H21N3OS2/c1-11(2)22-9-8-13-16(10-22)25-18(20-12(3)23)17(13)19-21-14-6-4-5-7-15(14)24-19/h4-7,11H,8-10H2,1-3H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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 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
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM46793 (CHEMBL1617574 | MLS000419194 | N-[3-(1,3-benzothia...) Show SMILES CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1 Show InChI InChI=1S/C19H21N3OS2/c1-11(2)22-9-8-13-16(10-22)25-18(20-12(3)23)17(13)19-21-14-6-4-5-7-15(14)24-19/h4-7,11H,8-10H2,1-3H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.13E+3	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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2K93612
					More data for this Ligand-Target Pair