Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 348.4 BDBM56884Purchase

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))	BDBM56884 (3-(4-Butyl-3,5-dimethyl-pyrazol-1-yl)-5-ethyl-5H-[...) Show SMILES CCCCc1c(C)nn(c1C)-c1nnc2c3ccccc3n(CC)c2n1 Show InChI InChI=1S/C20H24N6/c1-5-7-10-15-13(3)24-26(14(15)4)20-21-19-18(22-23-20)16-11-8-9-12-17(16)25(19)6-2/h8-9,11-12H,5-7,10H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	9.36E+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)	BDBM56884 (3-(4-Butyl-3,5-dimethyl-pyrazol-1-yl)-5-ethyl-5H-[...) Show SMILES CCCCc1c(C)nn(c1C)-c1nnc2c3ccccc3n(CC)c2n1 Show InChI InChI=1S/C20H24N6/c1-5-7-10-15-13(3)24-26(14(15)4)20-21-19-18(22-23-20)16-11-8-9-12-17(16)25(19)6-2/h8-9,11-12H,5-7,10H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents 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)	BDBM56884 (3-(4-Butyl-3,5-dimethyl-pyrazol-1-yl)-5-ethyl-5H-[...) Show SMILES CCCCc1c(C)nn(c1C)-c1nnc2c3ccccc3n(CC)c2n1 Show InChI InChI=1S/C20H24N6/c1-5-7-10-15-13(3)24-26(14(15)4)20-21-19-18(22-23-20)16-11-8-9-12-17(16)25(19)6-2/h8-9,11-12H,5-7,10H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents 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)	BDBM56884 (3-(4-Butyl-3,5-dimethyl-pyrazol-1-yl)-5-ethyl-5H-[...) Show SMILES CCCCc1c(C)nn(c1C)-c1nnc2c3ccccc3n(CC)c2n1 Show InChI InChI=1S/C20H24N6/c1-5-7-10-15-13(3)24-26(14(15)4)20-21-19-18(22-23-20)16-11-8-9-12-17(16)25(19)6-2/h8-9,11-12H,5-7,10H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.50E+5	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