Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 387.3 BDBM67987

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))	BDBM67987 ((6Z)-3-(4-nitrobenzyl)oxy-6-(4-phenyl-3-pyrazolin-...) Show SMILES [O-][N+](=O)c1ccc(COc2cc[c-](-c3[nH+][nH]cc3-c3ccccc3)c(=O)c2)cc1 Show InChI InChI=1S/C22H16N3O4/c26-21-12-18(29-14-15-6-8-17(9-7-15)25(27)28)10-11-19(21)22-20(13-23-24-22)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,24)/q-1/p+1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.16E+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)	BDBM67987 ((6Z)-3-(4-nitrobenzyl)oxy-6-(4-phenyl-3-pyrazolin-...) Show SMILES [O-][N+](=O)c1ccc(COc2cc[c-](-c3[nH+][nH]cc3-c3ccccc3)c(=O)c2)cc1 Show InChI InChI=1S/C22H16N3O4/c26-21-12-18(29-14-15-6-8-17(9-7-15)25(27)28)10-11-19(21)22-20(13-23-24-22)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,24)/q-1/p+1	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)	BDBM67987 ((6Z)-3-(4-nitrobenzyl)oxy-6-(4-phenyl-3-pyrazolin-...) Show SMILES [O-][N+](=O)c1ccc(COc2cc[c-](-c3[nH+][nH]cc3-c3ccccc3)c(=O)c2)cc1 Show InChI InChI=1S/C22H16N3O4/c26-21-12-18(29-14-15-6-8-17(9-7-15)25(27)28)10-11-19(21)22-20(13-23-24-22)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,24)/q-1/p+1	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