Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.5 BDBM68192

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))	BDBM68192 (4-({[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]me...) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1[CH+][N-]n1c(n[nH]c1=S)-c1cccs1)-c1ccccc1 Show InChI InChI=1S/C22H15N7O2S2/c30-29(31)18-10-8-15(9-11-18)20-16(14-27(26-20)17-5-2-1-3-6-17)13-23-28-21(24-25-22(28)32)19-7-4-12-33-19/h1-14H,(H,25,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	720	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)	BDBM68192 (4-({[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]me...) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1[CH+][N-]n1c(n[nH]c1=S)-c1cccs1)-c1ccccc1 Show InChI InChI=1S/C22H15N7O2S2/c30-29(31)18-10-8-15(9-11-18)20-16(14-27(26-20)17-5-2-1-3-6-17)13-23-28-21(24-25-22(28)32)19-7-4-12-33-19/h1-14H,(H,25,32)	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68192 (4-({[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]me...) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1[CH+][N-]n1c(n[nH]c1=S)-c1cccs1)-c1ccccc1 Show InChI InChI=1S/C22H15N7O2S2/c30-29(31)18-10-8-15(9-11-18)20-16(14-27(26-20)17-5-2-1-3-6-17)13-23-28-21(24-25-22(28)32)19-7-4-12-33-19/h1-14H,(H,25,32)	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