Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 407.4 BDBM67720

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))	BDBM67720 ((6Z)-6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepi...) Show SMILES CCCc1cc(c(O)cc1OC)-c1nc(N)ncc1-c1ccc2OCCCOc2c1 Show InChI InChI=1S/C23H25N3O4/c1-3-5-15-10-16(18(27)12-20(15)28-2)22-17(13-25-23(24)26-22)14-6-7-19-21(11-14)30-9-4-8-29-19/h6-7,10-13,27H,3-5,8-9H2,1-2H3,(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.93E+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)	BDBM67720 ((6Z)-6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepi...) Show SMILES CCCc1cc(c(O)cc1OC)-c1nc(N)ncc1-c1ccc2OCCCOc2c1 Show InChI InChI=1S/C23H25N3O4/c1-3-5-15-10-16(18(27)12-20(15)28-2)22-17(13-25-23(24)26-22)14-6-7-19-21(11-14)30-9-4-8-29-19/h6-7,10-13,27H,3-5,8-9H2,1-2H3,(H2,24,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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)	BDBM67720 ((6Z)-6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepi...) Show SMILES CCCc1cc(c(O)cc1OC)-c1nc(N)ncc1-c1ccc2OCCCOc2c1 Show InChI InChI=1S/C23H25N3O4/c1-3-5-15-10-16(18(27)12-20(15)28-2)22-17(13-25-23(24)26-22)14-6-7-19-21(11-14)30-9-4-8-29-19/h6-7,10-13,27H,3-5,8-9H2,1-2H3,(H2,24,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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