BDBM42062 2,3-dihydro-1,4-benzodioxin-3-ylmethyl(thieno[2,3-d]pyrimidin-4-yl)amine::MLS000389009::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-thieno[2,3-d]pyrimidinamine::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine::SMR000255183::cid_3457853

SMILES: C(Nc1ncnc2sccc12)C1COc2ccccc2O1

InChI Key: InChIKey=RRLUKZIJKWOVBH-UHFFFAOYSA-N

Data: 4 IC50  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 6 hits for monomerid = 42062   

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
Galanin receptor 2 (Homo sapiens (Human))	BDBM42062 (2,3-dihydro-1,4-benzodioxin-3-ylmethyl(thieno[2,3-...) Show SMILES C(Nc1ncnc2sccc12)C1COc2ccccc2O1 Show InChI InChI=1S/C15H13N3O2S/c1-2-4-13-12(3-1)19-8-10(20-13)7-16-14-11-5-6-21-15(11)18-9-17-14/h1-6,9-10H,7-8H2,(H,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>4.20E+4	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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2D21W05
					More data for this Ligand-Target Pair
Galanin receptor 2 (Homo sapiens (Human))	BDBM42062 (2,3-dihydro-1,4-benzodioxin-3-ylmethyl(thieno[2,3-...) Show SMILES C(Nc1ncnc2sccc12)C1COc2ccccc2O1 Show InChI InChI=1S/C15H13N3O2S/c1-2-4-13-12(3-1)19-8-10(20-13)7-16-14-11-5-6-21-15(11)18-9-17-14/h1-6,9-10H,7-8H2,(H,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>4.20E+4	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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute (TSRI) Assay Provid...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2W094B7
					More data for this Ligand-Target Pair
Protein Wnt-3a (Mus musculus)	BDBM42062 (2,3-dihydro-1,4-benzodioxin-3-ylmethyl(thieno[2,3-...) Show SMILES C(Nc1ncnc2sccc12)C1COc2ccccc2O1 Show InChI InChI=1S/C15H13N3O2S/c1-2-4-13-12(3-1)19-8-10(20-13)7-16-14-11-5-6-21-15(11)18-9-17-14/h1-6,9-10H,7-8H2,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q25B012X
					More data for this Ligand-Target Pair
heat shock protein 90 (Candida albicans)	BDBM42062 (2,3-dihydro-1,4-benzodioxin-3-ylmethyl(thieno[2,3-...) Show SMILES C(Nc1ncnc2sccc12)C1COc2ccccc2O1 Show InChI InChI=1S/C15H13N3O2S/c1-2-4-13-12(3-1)19-8-10(20-13)7-16-14-11-5-6-21-15(11)18-9-17-14/h1-6,9-10H,7-8H2,(H,16,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.16E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, stress response Assay Overview: Method for determining if compound acts as Hsp90 inh...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2GM85R4
					More data for this Ligand-Target Pair
Zinc finger protein GLI1 (Mus musculus)	BDBM42062 (2,3-dihydro-1,4-benzodioxin-3-ylmethyl(thieno[2,3-...) Show SMILES C(Nc1ncnc2sccc12)C1COc2ccccc2O1 Show InChI InChI=1S/C15H13N3O2S/c1-2-4-13-12(3-1)19-8-10(20-13)7-16-14-11-5-6-21-15(11)18-9-17-14/h1-6,9-10H,7-8H2,(H,16,17,18)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	887	n/a	n/a	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 (2012) BindingDB Entry DOI: 10.7270/Q2862F26
					More data for this Ligand-Target Pair
heat shock protein 90 (Candida albicans)	BDBM42062 (2,3-dihydro-1,4-benzodioxin-3-ylmethyl(thieno[2,3-...) Show SMILES C(Nc1ncnc2sccc12)C1COc2ccccc2O1 Show InChI InChI=1S/C15H13N3O2S/c1-2-4-13-12(3-1)19-8-10(20-13)7-16-14-11-5-6-21-15(11)18-9-17-14/h1-6,9-10H,7-8H2,(H,16,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.18E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MC8XGG
					More data for this Ligand-Target Pair