Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 327.3 BDBM67964Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67964 ((6-amino-5-nitro-pyrimidin-4-yl)-cyclohexyl-(p-tol...) Show SMILES Cc1ccc(cc1)N(C1CCCCC1)c1ncnc(N)c1[N+]([O-])=O Show InChI InChI=1S/C17H21N5O2/c1-12-7-9-14(10-8-12)21(13-5-3-2-4-6-13)17-15(22(23)24)16(18)19-11-20-17/h7-11,13H,2-6H2,1H3,(H2,18,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67964 ((6-amino-5-nitro-pyrimidin-4-yl)-cyclohexyl-(p-tol...) Show SMILES Cc1ccc(cc1)N(C1CCCCC1)c1ncnc(N)c1[N+]([O-])=O Show InChI InChI=1S/C17H21N5O2/c1-12-7-9-14(10-8-12)21(13-5-3-2-4-6-13)17-15(22(23)24)16(18)19-11-20-17/h7-11,13H,2-6H2,1H3,(H2,18,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67964 ((6-amino-5-nitro-pyrimidin-4-yl)-cyclohexyl-(p-tol...) Show SMILES Cc1ccc(cc1)N(C1CCCCC1)c1ncnc(N)c1[N+]([O-])=O Show InChI InChI=1S/C17H21N5O2/c1-12-7-9-14(10-8-12)21(13-5-3-2-4-6-13)17-15(22(23)24)16(18)19-11-20-17/h7-11,13H,2-6H2,1H3,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM67964 ((6-amino-5-nitro-pyrimidin-4-yl)-cyclohexyl-(p-tol...) Show SMILES Cc1ccc(cc1)N(C1CCCCC1)c1ncnc(N)c1[N+]([O-])=O Show InChI InChI=1S/C17H21N5O2/c1-12-7-9-14(10-8-12)21(13-5-3-2-4-6-13)17-15(22(23)24)16(18)19-11-20-17/h7-11,13H,2-6H2,1H3,(H2,18,19,20)	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