Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 488.5 BDBM67832Purchase

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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67832 (6-(4-morpholinylsulfonyl)-N-(phenylmethyl)-2-pyrid...) Show SMILES O=C(NCc1ccccc1)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCOCC1)-c1ccncc1 Show InChI InChI=1S/C26H24N4O4S/c31-26(28-18-19-4-2-1-3-5-19)23-17-25(20-8-10-27-11-9-20)29-24-7-6-21(16-22(23)24)35(32,33)30-12-14-34-15-13-30/h1-11,16-17H,12-15,18H2,(H,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.26E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67832 (6-(4-morpholinylsulfonyl)-N-(phenylmethyl)-2-pyrid...) Show SMILES O=C(NCc1ccccc1)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCOCC1)-c1ccncc1 Show InChI InChI=1S/C26H24N4O4S/c31-26(28-18-19-4-2-1-3-5-19)23-17-25(20-8-10-27-11-9-20)29-24-7-6-21(16-22(23)24)35(32,33)30-12-14-34-15-13-30/h1-11,16-17H,12-15,18H2,(H,28,31)	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67832 (6-(4-morpholinylsulfonyl)-N-(phenylmethyl)-2-pyrid...) Show SMILES O=C(NCc1ccccc1)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCOCC1)-c1ccncc1 Show InChI InChI=1S/C26H24N4O4S/c31-26(28-18-19-4-2-1-3-5-19)23-17-25(20-8-10-27-11-9-20)29-24-7-6-21(16-22(23)24)35(32,33)30-12-14-34-15-13-30/h1-11,16-17H,12-15,18H2,(H,28,31)	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