Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 331.3 BDBM67724Purchase

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

Found 3 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)	BDBM67724 ((3-methoxyphenyl)-[1-(m-tolyl)pyrazolo[3,4-d]pyrim...) Show SMILES COc1cccc(Nc2ncnc3n(ncc23)-c2cccc(C)c2)c1 Show InChI InChI=1S/C19H17N5O/c1-13-5-3-7-15(9-13)24-19-17(11-22-24)18(20-12-21-19)23-14-6-4-8-16(10-14)25-2/h3-12H,1-2H3,(H,20,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	550	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)	BDBM67724 ((3-methoxyphenyl)-[1-(m-tolyl)pyrazolo[3,4-d]pyrim...) Show SMILES COc1cccc(Nc2ncnc3n(ncc23)-c2cccc(C)c2)c1 Show InChI InChI=1S/C19H17N5O/c1-13-5-3-7-15(9-13)24-19-17(11-22-24)18(20-12-21-19)23-14-6-4-8-16(10-14)25-2/h3-12H,1-2H3,(H,20,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	550	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))	BDBM67724 ((3-methoxyphenyl)-[1-(m-tolyl)pyrazolo[3,4-d]pyrim...) Show SMILES COc1cccc(Nc2ncnc3n(ncc23)-c2cccc(C)c2)c1 Show InChI InChI=1S/C19H17N5O/c1-13-5-3-7-15(9-13)24-19-17(11-22-24)18(20-12-21-19)23-14-6-4-8-16(10-14)25-2/h3-12H,1-2H3,(H,20,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.51E+3	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