Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 454.4 BDBM67997Purchase

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))	BDBM67997 ((4Z)-2-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3...) Show SMILES Oc1ccc(cc1C=Nc1ccc(cc1)N1CCOCC1)N=Nc1cccc(c1)C(F)(F)F |w:8.9,22.25| Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)18-2-1-3-20(15-18)29-30-21-6-9-23(32)17(14-21)16-28-19-4-7-22(8-5-19)31-10-12-33-13-11-31/h1-9,14-16,32H,10-13H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.12E+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)	BDBM67997 ((4Z)-2-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3...) Show SMILES Oc1ccc(cc1C=Nc1ccc(cc1)N1CCOCC1)N=Nc1cccc(c1)C(F)(F)F |w:8.9,22.25| Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)18-2-1-3-20(15-18)29-30-21-6-9-23(32)17(14-21)16-28-19-4-7-22(8-5-19)31-10-12-33-13-11-31/h1-9,14-16,32H,10-13H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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)	BDBM67997 ((4Z)-2-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3...) Show SMILES Oc1ccc(cc1C=Nc1ccc(cc1)N1CCOCC1)N=Nc1cccc(c1)C(F)(F)F |w:8.9,22.25| Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)18-2-1-3-20(15-18)29-30-21-6-9-23(32)17(14-21)16-28-19-4-7-22(8-5-19)31-10-12-33-13-11-31/h1-9,14-16,32H,10-13H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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