Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 444.1 BDBM58040

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
Streptokinase A (Streptococcus pyogenes M1 GAS)	BDBM58040 (1-(4-Bromo-phenyl)-4,4,4-trifluoro-2-[(3-nitro-phe...) Show SMILES [O-][N+](=O)c1cccc(NN=C(C(=O)c2ccc(Br)cc2)C(=O)C(F)(F)F)c1 |w:9.8| Show InChI InChI=1S/C16H9BrF3N3O4/c17-10-6-4-9(5-7-10)14(24)13(15(25)16(18,19)20)22-21-11-2-1-3-12(8-11)23(26)27/h1-8,21H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.23E+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
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM58040 (1-(4-Bromo-phenyl)-4,4,4-trifluoro-2-[(3-nitro-phe...) Show SMILES [O-][N+](=O)c1cccc(NN=C(C(=O)c2ccc(Br)cc2)C(=O)C(F)(F)F)c1 |w:9.8| Show InChI InChI=1S/C16H9BrF3N3O4/c17-10-6-4-9(5-7-10)14(24)13(15(25)16(18,19)20)22-21-11-2-1-3-12(8-11)23(26)27/h1-8,21H	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2SQ8XVD
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM58040 (1-(4-Bromo-phenyl)-4,4,4-trifluoro-2-[(3-nitro-phe...) Show SMILES [O-][N+](=O)c1cccc(NN=C(C(=O)c2ccc(Br)cc2)C(=O)C(F)(F)F)c1 |w:9.8| Show InChI InChI=1S/C16H9BrF3N3O4/c17-10-6-4-9(5-7-10)14(24)13(15(25)16(18,19)20)22-21-11-2-1-3-12(8-11)23(26)27/h1-8,21H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2251GM6
					More data for this Ligand-Target Pair