Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 347.4 BDBM57409Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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))	BDBM57409 (MLS000579822 | N-(3,4-dimethylphenyl)-4-[(1-hydrox...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C#CC2(O)CCCCC2)cc1C Show InChI InChI=1S/C23H25NO2/c1-17-6-11-21(16-18(17)2)24-22(25)20-9-7-19(8-10-20)12-15-23(26)13-4-3-5-14-23/h6-11,16,26H,3-5,13-14H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.66E+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)	BDBM57409 (MLS000579822 | N-(3,4-dimethylphenyl)-4-[(1-hydrox...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C#CC2(O)CCCCC2)cc1C Show InChI InChI=1S/C23H25NO2/c1-17-6-11-21(16-18(17)2)24-22(25)20-9-7-19(8-10-20)12-15-23(26)13-4-3-5-14-23/h6-11,16,26H,3-5,13-14H2,1-2H3,(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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)	BDBM57409 (MLS000579822 | N-(3,4-dimethylphenyl)-4-[(1-hydrox...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C#CC2(O)CCCCC2)cc1C Show InChI InChI=1S/C23H25NO2/c1-17-6-11-21(16-18(17)2)24-22(25)20-9-7-19(8-10-20)12-15-23(26)13-4-3-5-14-23/h6-11,16,26H,3-5,13-14H2,1-2H3,(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Streptokinase A (Streptococcus pyogenes M1 GAS)	BDBM57409 (MLS000579822 | N-(3,4-dimethylphenyl)-4-[(1-hydrox...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C#CC2(O)CCCCC2)cc1C Show InChI InChI=1S/C23H25NO2/c1-17-6-11-21(16-18(17)2)24-22(25)20-9-7-19(8-10-20)12-15-23(26)13-4-3-5-14-23/h6-11,16,26H,3-5,13-14H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.36E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
					More data for this Ligand-Target Pair