Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 384.4 BDBM68007

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))	BDBM68007 (7-Ethyl-5-(4-nitro-phenyl)-2-p-tolyl-3H-benzo[e][1...) Show SMILES CCc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccc(C)cc1 |c:6,8| Show InChI InChI=1S/C23H20N4O2/c1-3-16-6-13-21-20(14-16)22(17-9-11-19(12-10-17)27(28)29)25-26-23(24-21)18-7-4-15(2)5-8-18/h4-14,25H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.21E+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)	BDBM68007 (7-Ethyl-5-(4-nitro-phenyl)-2-p-tolyl-3H-benzo[e][1...) Show SMILES CCc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccc(C)cc1 |c:6,8| Show InChI InChI=1S/C23H20N4O2/c1-3-16-6-13-21-20(14-16)22(17-9-11-19(12-10-17)27(28)29)25-26-23(24-21)18-7-4-15(2)5-8-18/h4-14,25H,3H2,1-2H3	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)	BDBM68007 (7-Ethyl-5-(4-nitro-phenyl)-2-p-tolyl-3H-benzo[e][1...) Show SMILES CCc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccc(C)cc1 |c:6,8| Show InChI InChI=1S/C23H20N4O2/c1-3-16-6-13-21-20(14-16)22(17-9-11-19(12-10-17)27(28)29)25-26-23(24-21)18-7-4-15(2)5-8-18/h4-14,25H,3H2,1-2H3	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