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SMILES: C(Nc1ncnc2scc(-c3cccs3)c12)c1ccccn1

InChI Key: InChIKey=UNZVMUFMYNIQFQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 54329   

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
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM54329 (2-pyridylmethyl-[5-(2-thienyl)thieno[2,3-d]pyrimid...) Show SMILES C(Nc1ncnc2scc(-c3cccs3)c12)c1ccccn1 Show InChI InChI=1S/C16H12N4S2/c1-2-6-17-11(4-1)8-18-15-14-12(13-5-3-7-21-13)9-22-16(14)20-10-19-15/h1-7,9-10H,8H2,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.06E+3	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 (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54329 (2-pyridylmethyl-[5-(2-thienyl)thieno[2,3-d]pyrimid...) Show SMILES C(Nc1ncnc2scc(-c3cccs3)c12)c1ccccn1 Show InChI InChI=1S/C16H12N4S2/c1-2-6-17-11(4-1)8-18-15-14-12(13-5-3-7-21-13)9-22-16(14)20-10-19-15/h1-7,9-10H,8H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.58E+3	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 (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM54329 (2-pyridylmethyl-[5-(2-thienyl)thieno[2,3-d]pyrimid...) Show SMILES C(Nc1ncnc2scc(-c3cccs3)c12)c1ccccn1 Show InChI InChI=1S/C16H12N4S2/c1-2-6-17-11(4-1)8-18-15-14-12(13-5-3-7-21-13)9-22-16(14)20-10-19-15/h1-7,9-10H,8H2,(H,18,19,20)	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	>3.00E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM54329 (2-pyridylmethyl-[5-(2-thienyl)thieno[2,3-d]pyrimid...) Show SMILES C(Nc1ncnc2scc(-c3cccs3)c12)c1ccccn1 Show InChI InChI=1S/C16H12N4S2/c1-2-6-17-11(4-1)8-18-15-14-12(13-5-3-7-21-13)9-22-16(14)20-10-19-15/h1-7,9-10H,8H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.22E+3	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 (2010) BindingDB Entry DOI: 10.7270/Q2PR7TDC
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM54329 (2-pyridylmethyl-[5-(2-thienyl)thieno[2,3-d]pyrimid...) Show SMILES C(Nc1ncnc2scc(-c3cccs3)c12)c1ccccn1 Show InChI InChI=1S/C16H12N4S2/c1-2-6-17-11(4-1)8-18-15-14-12(13-5-3-7-21-13)9-22-16(14)20-10-19-15/h1-7,9-10H,8H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.00E+3	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 (2010) BindingDB Entry DOI: 10.7270/Q25M6443
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54329 (2-pyridylmethyl-[5-(2-thienyl)thieno[2,3-d]pyrimid...) Show SMILES C(Nc1ncnc2scc(-c3cccs3)c12)c1ccccn1 Show InChI InChI=1S/C16H12N4S2/c1-2-6-17-11(4-1)8-18-15-14-12(13-5-3-7-21-13)9-22-16(14)20-10-19-15/h1-7,9-10H,8H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.69E+3	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 (2010) BindingDB Entry DOI: 10.7270/Q2Z899VD
					More data for this Ligand-Target Pair